3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide

C11H24N2O2S — CID 63855498

IUPAC3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)5-7-16(14,15)13-9-11-4-3-6-12-8-11/h10-13H,3-9H2,1-2H3
InChIKeySROSTNNMDSHKCU-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.95
Rot. Bonds6

About 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide

3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide (PubChem CID 63855498) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
PubChem CID63855498
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)5-7-16(14,15)13-9-11-4-3-6-12-8-11/h10-13H,3-9H2,1-2H3
InChIKeySROSTNNMDSHKCU-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 119968659
N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
CID 124681889
4-(3-methylbutyl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968622
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 120874709
5-methyl-N-(piperidin-3-ylmethyl)hexan-2-amine
CID 80553387
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
3-(3-methylbutyl)piperidine
CID 53409753
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide (CID 63855498) is 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)NCC1CCCNC1.
What is the InChIKey of 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
The InChIKey is SROSTNNMDSHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)5-7-16(14,15)13-9-11-4-3-6-12-8-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide?
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 63855498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).