N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide

C16H25NOS — CID 118693312

IUPACN-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H25NOS/c1-5-15(17-19(18)16(2,3)4)14-10-8-13(9-11-14)12-6-7-12/h8-12,15,17H,5-7H2,1-4H3/t15-,19?/m0/s1
InChIKeyYCGGGRYKPOMSJC-FUKCDUGKSA-N
MW279.45 g/mol
LogP4.07
Rot. Bonds5

About N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 118693312) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID118693312
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H25NOS/c1-5-15(17-19(18)16(2,3)4)14-10-8-13(9-11-14)12-6-7-12/h8-12,15,17H,5-7H2,1-4H3/t15-,19?/m0/s1
InChIKeyYCGGGRYKPOMSJC-FUKCDUGKSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide 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

1-(4-Isopropylphenyl)ethanamine
CID 3728039
(+/-) Propane-2-sulfonic acid (2-p-tolyl-cyclopentyl)-amide
CID 10967953
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-propyl]-amide
CID 9817709
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-butyl]-amide
CID 10519128
Benzenemethanamine, alpha-methyl-4-(2-methylpropyl)-
CID 156469
1-(4-Ethylphenyl)-2-methylpropan-1-amine
CID 4962454
2-Methyl-1-[4-(propan-2-yl)phenyl]propan-1-amine
CID 4962455
1-[4-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide
CID 9361736
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-pentyl]-amide
CID 10829935
N-[(E,1R)-1-phenyl-2-propylhex-2-enyl]methanesulfonamide
CID 44592829
(S)-2-Cyclopropyl-1-(3-fluoro-4-methylphenyl)ethan-1-amine
CID 69453674
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethyl]propane-2-sulfinamide
CID 102258355

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide (CID 118693312) is N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide is CC[C@H](NS(=O)C(C)(C)C)c1ccc(C2CC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is YCGGGRYKPOMSJC-FUKCDUGKSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-15(17-19(18)16(2,3)4)14-10-8-13(9-11-14)12-6-7-12/h8-12,15,17H,5-7H2,1-4H3/t15-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 279.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118693312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).