(3S)-3-methylsulfanylpiperidine

C6H13NS — CID 22841637

IUPAC(3S)-3-methylsulfanylpiperidine
SMILESCS[C@H]1CCCNC1
InChIInChI=1S/C6H13NS/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyUBPKHUKTNBVSHS-LURJTMIESA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds1

About (3S)-3-methylsulfanylpiperidine

(3S)-3-methylsulfanylpiperidine (PubChem CID 22841637) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3S)-3-methylsulfanylpiperidine.

Molecular Properties

Compound Name(3S)-3-methylsulfanylpiperidine
PubChem CID22841637
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3S)-3-methylsulfanylpiperidine
SMILESCS[C@H]1CCCNC1
InChIInChI=1S/C6H13NS/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyUBPKHUKTNBVSHS-LURJTMIESA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylthiomorpholine
CID 14953857
2-Propyl-1,3-thiazinane
CID 200393
2,6-Dimethylthiomorpholine
CID 103815
2-Ethylthiomorpholine
CID 21495166
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2H-1,3-Thiazine, tetrahydro-2-methyl-, hydrochloride
CID 3061399
2-Ethyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061401
2-Propyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061402
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
4-(Methylsulfanyl)piperidine hydrochloride
CID 50998950
4-((Methylsulfanyl)methyl)piperidine hydrochloride
CID 56773736
3-[(Methylsulfanyl)methyl]piperidine hydrochloride
CID 56773818

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylsulfanylpiperidine?
The IUPAC name of (3S)-3-methylsulfanylpiperidine (CID 22841637) is (3S)-3-methylsulfanylpiperidine.
What is the SMILES notation for (3S)-3-methylsulfanylpiperidine?
The canonical SMILES for (3S)-3-methylsulfanylpiperidine is CS[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-methylsulfanylpiperidine?
The InChIKey is UBPKHUKTNBVSHS-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NS/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-methylsulfanylpiperidine?
(3S)-3-methylsulfanylpiperidine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylsulfanylpiperidine is sourced from PubChem (CID 22841637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).