N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide

C12H27N3O2S — CID 114208118

IUPACN-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC(CN)C(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-10-7-5-6-8-15(10)18(16,17)14-11(9-13)12(2,3)4/h10-11,14H,5-9,13H2,1-4H3
InChIKeyZCCQFJGCQPAIBL-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.07
Rot. Bonds4

About N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide

N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 114208118) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID114208118
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC(CN)C(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-10-7-5-6-8-15(10)18(16,17)14-11(9-13)12(2,3)4/h10-11,14H,5-9,13H2,1-4H3
InChIKeyZCCQFJGCQPAIBL-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide
CID 115650577
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 65030729
3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
CID 43094969
N-(1-amino-4,4-dimethylpentan-3-yl)pyrrolidine-1-sulfonamide
CID 106357464
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide (CID 114208118) is N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC(CN)C(C)(C)C.
What is the InChIKey of N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is ZCCQFJGCQPAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-10-7-5-6-8-15(10)18(16,17)14-11(9-13)12(2,3)4/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide?
N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114208118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).