(7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H21NOS — CID 169139512

IUPAC(7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC=C(C)N1CC[C@@]2(CC1C)OCCc1ccsc12
InChIInChI=1S/C15H21NOS/c1-11(2)16-7-6-15(10-12(16)3)14-13(4-8-17-15)5-9-18-14/h5,9,12H,1,4,6-8,10H2,2-3H3/t12?,15-/m0/s1
InChIKeyPJIBSOCESHPSRO-CVRLYYSRSA-N
MW263.41 g/mol
LogP3.53
Rot. Bonds1

About (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169139512) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169139512
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC=C(C)N1CC[C@@]2(CC1C)OCCc1ccsc12
InChIInChI=1S/C15H21NOS/c1-11(2)16-7-6-15(10-12(16)3)14-13(4-8-17-15)5-9-18-14/h5,9,12H,1,4,6-8,10H2,2-3H3/t12?,15-/m0/s1
InChIKeyPJIBSOCESHPSRO-CVRLYYSRSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

tert-butyl (2'S,7S)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
CID 169140447
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 172905950
1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135118729
1-[(2'S,7R)-2-chloro-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2,2,2-trifluoroethanone
CID 169140386
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918492
1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310489
(2,3-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135101219
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163309965

Frequently Asked Questions

What is the IUPAC name of (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169139512) is (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C=C(C)N1CC[C@@]2(CC1C)OCCc1ccsc12.
What is the InChIKey of (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is PJIBSOCESHPSRO-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(2)16-7-6-15(10-12(16)3)14-13(4-8-17-15)5-9-18-14/h5,9,12H,1,4,6-8,10H2,2-3H3/t12?,15-/m0/s1.
What are the key properties of (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 263.41 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2'-methyl-1'-prop-1-en-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169139512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).