N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide

C16H28N2O2S — CID 79664110

IUPACN-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H28N2O2S/c1-4-11-18(14-16(2,3)13-17)21(19,20)12-10-15-8-6-5-7-9-15/h5-9H,4,10-14,17H2,1-3H3
InChIKeyMGPCSIXGYMEHDW-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.26
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide (PubChem CID 79664110) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
PubChem CID79664110
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H28N2O2S/c1-4-11-18(14-16(2,3)13-17)21(19,20)12-10-15-8-6-5-7-9-15/h5-9H,4,10-14,17H2,1-3H3
InChIKeyMGPCSIXGYMEHDW-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
CID 79664125
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide (CID 79664110) is N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide?
The InChIKey is MGPCSIXGYMEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-4-11-18(14-16(2,3)13-17)21(19,20)12-10-15-8-6-5-7-9-15/h5-9H,4,10-14,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide is sourced from PubChem (CID 79664110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).