N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide

C12H27N3O2S — CID 58821531

IUPACN-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide
SMILESCN(C[C@@H](N)C(C)(C)C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)11(13)10-14(4)18(16,17)15-8-6-5-7-9-15/h11H,5-10,13H2,1-4H3/t11-/m1/s1
InChIKeyXYWDHNHXPVCIIU-LLVKDONJSA-N
MW277.43 g/mol
LogP1.02
Rot. Bonds4

About N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide

N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide (PubChem CID 58821531) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide
PubChem CID58821531
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide
SMILESCN(C[C@@H](N)C(C)(C)C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)11(13)10-14(4)18(16,17)15-8-6-5-7-9-15/h11H,5-10,13H2,1-4H3/t11-/m1/s1
InChIKeyXYWDHNHXPVCIIU-LLVKDONJSA-N
XLogP1.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide (CID 58821531) is N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide is CN(C[C@@H](N)C(C)(C)C)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide?
The InChIKey is XYWDHNHXPVCIIU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2,3)11(13)10-14(4)18(16,17)15-8-6-5-7-9-15/h11H,5-10,13H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide?
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 58821531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).