N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide

C11H20N2O2S — CID 115900350

IUPACN-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCC(CSC)NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H20N2O2S/c1-3-9(7-16-2)13-11(15)8-4-5-10(14)12-6-8/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyHGUWEWKVXGYFQK-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.77
Rot. Bonds5

About N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide

N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 115900350) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID115900350
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCC(CSC)NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H20N2O2S/c1-3-9(7-16-2)13-11(15)8-4-5-10(14)12-6-8/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyHGUWEWKVXGYFQK-UHFFFAOYSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
N-(4-hydroxy-1-methoxybutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103850894
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(1-ethoxy-3-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 103274805
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-6-oxopiperidine-3-carboxamide
CID 113408101
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193576
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 112728875
(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide (CID 115900350) is N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide is CCC(CSC)NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HGUWEWKVXGYFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-9(7-16-2)13-11(15)8-4-5-10(14)12-6-8/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 115900350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).