N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide

C14H24N2O2S — CID 99850241

IUPACN-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC[C@@H](N)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)9-10-19(17,18)16-11-13(15)12-7-5-4-6-8-12/h4-8,13,16H,9-11,15H2,1-3H3/t13-/m1/s1
InChIKeyGHBHUIRUEFRDJJ-CYBMUJFWSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds6

About N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide

N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 99850241) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID99850241
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC[C@@H](N)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)9-10-19(17,18)16-11-13(15)12-7-5-4-6-8-12/h4-8,13,16H,9-11,15H2,1-3H3/t13-/m1/s1
InChIKeyGHBHUIRUEFRDJJ-CYBMUJFWSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-amino-2-phenylethyl)prop-2-ene-1-sulfonamide
CID 79672706
N-(2-amino-2-phenylethyl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119976164
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide
CID 86943976
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
[1-amino-2-[[ethyl(methyl)sulfamoyl]amino]ethyl]benzene
CID 119976145

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide (CID 99850241) is N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC[C@@H](N)c1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is GHBHUIRUEFRDJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)9-10-19(17,18)16-11-13(15)12-7-5-4-6-8-12/h4-8,13,16H,9-11,15H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 99850241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).