2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide

C10H18N4O3S — CID 54897114

IUPAC2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-3-4-18(16,17)14-8(2)10(15)11-5-9-6-12-13-7-9/h6-8,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyLXSDMRPRFOIMFI-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.26
Rot. Bonds7

About 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide

2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 54897114) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID54897114
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-3-4-18(16,17)14-8(2)10(15)11-5-9-6-12-13-7-9/h6-8,14H,3-5H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyLXSDMRPRFOIMFI-UHFFFAOYSA-N
XLogP-0.26
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylsulfonylamino)-N-(1H-pyrazol-4-yl)propanamide
CID 43540400
N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582888
N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-4-carboxamide
CID 43582917
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267297
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267387
N-cyclopropyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267388
N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47267399
N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267535
N,N-dimethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267537
2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 47268019
N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47268093
N-propyl-2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47268135

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 54897114) is 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide is CCCS(=O)(=O)NC(C)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is LXSDMRPRFOIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-4-18(16,17)14-8(2)10(15)11-5-9-6-12-13-7-9/h6-8,14H,3-5H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide?
2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 274.35 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 54897114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).