3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide

C10H20N4O2S — CID 54982557

IUPAC3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H20N4O2S/c1-9(2)11-4-3-5-17(15,16)14-8-10-6-12-13-7-10/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyHXZMALFERGSJRU-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.22
Rot. Bonds8

About 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide

3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide (PubChem CID 54982557) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
PubChem CID54982557
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H20N4O2S/c1-9(2)11-4-3-5-17(15,16)14-8-10-6-12-13-7-10/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyHXZMALFERGSJRU-UHFFFAOYSA-N
XLogP0.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide (CID 54982557) is 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is HXZMALFERGSJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)11-4-3-5-17(15,16)14-8-10-6-12-13-7-10/h6-7,9,11,14H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 54982557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).