(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine

C15H21ClN4OS — CID 170657754

IUPAC(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
SMILESC/N=C/C(=N\N)[C@@H]1CC2(C[C@@H](C)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C15H21ClN4OS/c1-9-6-15(7-11(19-9)12(20-17)8-18-2)14-10(3-4-21-15)5-13(16)22-14/h5,8-9,11,19H,3-4,6-7,17H2,1-2H3/b18-8+,20-12+/t9-,11+,15?/m1/s1
InChIKeyCVNDTRWUOHSBRR-HIYWXJGASA-N
MW340.88 g/mol
LogP2.33
Rot. Bonds2

About (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine

(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine (PubChem CID 170657754) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine.

Molecular Properties

Compound Name(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
PubChem CID170657754
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
SMILESC/N=C/C(=N\N)[C@@H]1CC2(C[C@@H](C)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C15H21ClN4OS/c1-9-6-15(7-11(19-9)12(20-17)8-18-2)14-10(3-4-21-15)5-13(16)22-14/h5,8-9,11,19H,3-4,6-7,17H2,1-2H3/b18-8+,20-12+/t9-,11+,15?/m1/s1
InChIKeyCVNDTRWUOHSBRR-HIYWXJGASA-N
XLogP2.33
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
CID 165024064
(2Z)-2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
CID 164725948
methyl 2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-carboxylate
CID 175919978
(2'S,6'S,7S)-2-chloro-2'-cyclopropyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725563
1-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-N,N-dimethylcyclopropan-1-amine
CID 164725960
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]pyrimidin-2-amine
CID 164725799
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(3-methylpyrazin-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726079
2-chloro-2'-methyl-6'-(2-methylpyrazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726138
(2'S,6'R)-2-chloro-2',6'-dicyclopropylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163838810
2-chloro-2'-methyl-6'-pyridazin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726140
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-N,N-dimethylpyrimidin-2-amine
CID 164726164
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726085

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The IUPAC name of (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine (CID 170657754) is (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine.
What is the SMILES notation for (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The canonical SMILES for (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine is C/N=C/C(=N\N)[C@@H]1CC2(C[C@@H](C)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The InChIKey is CVNDTRWUOHSBRR-HIYWXJGASA-N. The full InChI is InChI=1S/C15H21ClN4OS/c1-9-6-15(7-11(19-9)12(20-17)8-18-2)14-10(3-4-21-15)5-13(16)22-14/h5,8-9,11,19H,3-4,6-7,17H2,1-2H3/b18-8+,20-12+/t9-,11+,15?/m1/s1.
What are the key properties of (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine has a molecular weight of 340.88 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine is sourced from PubChem (CID 170657754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).