(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide

C11H22N2OS — CID 104869071

IUPAC(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
SMILESCCSCC(C)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2OS/c1-3-15-8-9(2)13-11(14)10-5-4-6-12-7-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m1/s1
InChIKeyRATQRJIGOQIHSG-QVDQXJPCSA-N
MW230.38 g/mol
LogP1.24
Rot. Bonds5

About (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide

(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 104869071) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
PubChem CID104869071
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide
SMILESCCSCC(C)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C11H22N2OS/c1-3-15-8-9(2)13-11(14)10-5-4-6-12-7-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m1/s1
InChIKeyRATQRJIGOQIHSG-QVDQXJPCSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide (CID 104869071) is (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide is CCSCC(C)NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is RATQRJIGOQIHSG-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-15-8-9(2)13-11(14)10-5-4-6-12-7-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m1/s1.
What are the key properties of (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide?
(3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 104869071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).