N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide

C12H21N3O2S — CID 115365959

IUPACN-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(C)(CN)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H21N3O2S/c1-12(2,9-13)10-15-18(16,17)8-6-11-5-3-4-7-14-11/h3-5,7,15H,6,8-10,13H2,1-2H3
InChIKeySOYCRDAOTJPSJI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.53
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 115365959) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID115365959
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(C)(CN)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H21N3O2S/c1-12(2,9-13)10-15-18(16,17)8-6-11-5-3-4-7-14-11/h3-5,7,15H,6,8-10,13H2,1-2H3
InChIKeySOYCRDAOTJPSJI-UHFFFAOYSA-N
XLogP0.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-4-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 66002755
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
CID 65030639
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide (CID 115365959) is N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide is CC(C)(CN)CNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is SOYCRDAOTJPSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2,9-13)10-15-18(16,17)8-6-11-5-3-4-7-14-11/h3-5,7,15H,6,8-10,13H2,1-2H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 115365959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).