N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide

C12H27N3O2S — CID 43606393

IUPACN-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H27N3O2S/c1-10(2)7-12(13)8-14-18(16,17)15-6-4-5-11(3)9-15/h10-12,14H,4-9,13H2,1-3H3
InChIKeyOVTAEJJYFBVRLL-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.93
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide

N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 43606393) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
PubChem CID43606393
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H27N3O2S/c1-10(2)7-12(13)8-14-18(16,17)15-6-4-5-11(3)9-15/h10-12,14H,4-9,13H2,1-3H3
InChIKeyOVTAEJJYFBVRLL-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methylpiperidine-1-sulfonamide
CID 43461523
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide (CID 43606393) is N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide is CC(C)CC(N)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is OVTAEJJYFBVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10(2)7-12(13)8-14-18(16,17)15-6-4-5-11(3)9-15/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide?
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43606393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).