N-(3-methylsulfinylbutyl)piperidine-1-carboxamide

C11H22N2O2S — CID 116657935

IUPACN-(3-methylsulfinylbutyl)piperidine-1-carboxamide
SMILESCC(CCNC(=O)N1CCCCC1)S(C)=O
InChIInChI=1S/C11H22N2O2S/c1-10(16(2)15)6-7-12-11(14)13-8-4-3-5-9-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyZSWLXJRPEQOKHE-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.34
Rot. Bonds4

About N-(3-methylsulfinylbutyl)piperidine-1-carboxamide

N-(3-methylsulfinylbutyl)piperidine-1-carboxamide (PubChem CID 116657935) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-methylsulfinylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfinylbutyl)piperidine-1-carboxamide
PubChem CID116657935
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-methylsulfinylbutyl)piperidine-1-carboxamide
SMILESCC(CCNC(=O)N1CCCCC1)S(C)=O
InChIInChI=1S/C11H22N2O2S/c1-10(16(2)15)6-7-12-11(14)13-8-4-3-5-9-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyZSWLXJRPEQOKHE-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfinylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 113490689
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
CID 115763587
N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 79162037
N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
CID 115583768
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 70945574
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
CID 84601030
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-carboxamide
CID 104593868

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylbutyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-methylsulfinylbutyl)piperidine-1-carboxamide (CID 116657935) is N-(3-methylsulfinylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylsulfinylbutyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylsulfinylbutyl)piperidine-1-carboxamide is CC(CCNC(=O)N1CCCCC1)S(C)=O.
What is the InChIKey of N-(3-methylsulfinylbutyl)piperidine-1-carboxamide?
The InChIKey is ZSWLXJRPEQOKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(16(2)15)6-7-12-11(14)13-8-4-3-5-9-13/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(3-methylsulfinylbutyl)piperidine-1-carboxamide?
N-(3-methylsulfinylbutyl)piperidine-1-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 116657935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).