N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H26N2O2S — CID 106031977

IUPACN-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccccc1CNC(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-14(6-2)17-20(18,19)15-10-8-7-9-13(15)11-16-12(3)4/h7-10,12,14,16-17H,5-6,11H2,1-4H3
InChIKeyZJQGKYMLZSPLER-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.65
Rot. Bonds8

About N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide

N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106031977) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106031977
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccccc1CNC(C)C
InChIInChI=1S/C15H26N2O2S/c1-5-14(6-2)17-20(18,19)15-10-8-7-9-13(15)11-16-12(3)4/h7-10,12,14,16-17H,5-6,11H2,1-4H3
InChIKeyZJQGKYMLZSPLER-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide 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-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106032301
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106064198
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
2-methyl-N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032068
N-[3-(dimethylamino)propyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107962486
2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63198818

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106031977) is N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccccc1CNC(C)C.
What is the InChIKey of N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is ZJQGKYMLZSPLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-14(6-2)17-20(18,19)15-10-8-7-9-13(15)11-16-12(3)4/h7-10,12,14,16-17H,5-6,11H2,1-4H3.
What are the key properties of N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106031977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).