N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide

C9H22N2O2S — CID 106357404

IUPACN-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CCN)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-7-14(12,13)11-9(5-6-10)8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYECMQNUVSWYYQR-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.69
Rot. Bonds7

About N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide

N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide (PubChem CID 106357404) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide
PubChem CID106357404
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CCN)C(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-7-14(12,13)11-9(5-6-10)8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYECMQNUVSWYYQR-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide 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-4-methylpentan-3-yl)butane-1-sulfonamide
CID 106357360
N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
CID 106357397
N-(2-methylpentan-3-yl)propane-1-sulfonamide
CID 61481422
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
N-(1-amino-4-methylpentan-3-yl)azepane-1-sulfonamide
CID 106357410
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
2-amino-N-octan-2-ylethanesulfonamide
CID 61477051
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide
CID 103782266
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
CID 106357386

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide (CID 106357404) is N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(CCN)C(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide?
The InChIKey is YECMQNUVSWYYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-7-14(12,13)11-9(5-6-10)8(2)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide?
N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 106357404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).