(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H22N4OS — CID 169137695

IUPAC(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1cc2c(s1)C1(CCN[C@H](C3=CN(C)NN3)C1)OCC2
InChIInChI=1S/C15H22N4OS/c1-10-7-11-3-6-20-15(14(11)21-10)4-5-16-12(8-15)13-9-19(2)18-17-13/h7,9,12,16-18H,3-6,8H2,1-2H3/t12-,15?/m0/s1
InChIKeyQGAUTPLUSYYCFL-SFVWDYPZSA-N
MW306.44 g/mol
LogP1.37
Rot. Bonds1

About (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169137695) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169137695
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1cc2c(s1)C1(CCN[C@H](C3=CN(C)NN3)C1)OCC2
InChIInChI=1S/C15H22N4OS/c1-10-7-11-3-6-20-15(14(11)21-10)4-5-16-12(8-15)13-9-19(2)18-17-13/h7,9,12,16-18H,3-6,8H2,1-2H3/t12-,15?/m0/s1
InChIKeyQGAUTPLUSYYCFL-SFVWDYPZSA-N
XLogP1.37
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169137695) is (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cc1cc2c(s1)C1(CCN[C@H](C3=CN(C)NN3)C1)OCC2.
What is the InChIKey of (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is QGAUTPLUSYYCFL-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-7-11-3-6-20-15(14(11)21-10)4-5-16-12(8-15)13-9-19(2)18-17-13/h7,9,12,16-18H,3-6,8H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 306.44 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169137695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).