N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide

C12H27N3O2S — CID 114134808

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H27N3O2S/c1-4-11(2)15(3)9-8-14-18(16,17)12-6-5-7-13-10-12/h11-14H,4-10H2,1-3H3
InChIKeyWUSFFRDSCJRFHW-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds7

About N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide

N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide (PubChem CID 114134808) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
PubChem CID114134808
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H27N3O2S/c1-4-11(2)15(3)9-8-14-18(16,17)12-6-5-7-13-10-12/h11-14H,4-10H2,1-3H3
InChIKeyWUSFFRDSCJRFHW-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413
N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 62636011
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
CID 95617460
N-(7-methyloctyl)piperidine-3-sulfonamide
CID 107816777
N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide
CID 113327829
N-(2-methoxypropyl)piperidine-3-sulfonamide
CID 102699245
N-(3-methylbutyl)pyrrolidine-3-sulfonamide
CID 65421561
N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide
CID 55141917
(3R)-N-ethylpyrrolidine-3-sulfonamide
CID 96995954
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
CID 106049193

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide (CID 114134808) is N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide is CCC(C)N(C)CCNS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide?
The InChIKey is WUSFFRDSCJRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-11(2)15(3)9-8-14-18(16,17)12-6-5-7-13-10-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide is sourced from PubChem (CID 114134808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).