N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C13H20N2O3S2 — CID 114550202

IUPACN-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C13H20N2O3S2/c1-10-4-5-11(9-10)15-12(16)6-7-14-20(17,18)13-3-2-8-19-13/h2-3,8,10-11,14H,4-7,9H2,1H3,(H,15,16)
InChIKeyUNLOLKAOOBUMCK-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.72
Rot. Bonds6

About N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 114550202) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID114550202
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C13H20N2O3S2/c1-10-4-5-11(9-10)15-12(16)6-7-14-20(17,18)13-3-2-8-19-13/h2-3,8,10-11,14H,4-7,9H2,1H3,(H,15,16)
InChIKeyUNLOLKAOOBUMCK-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 114550202) is N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide is CC1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is UNLOLKAOOBUMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-10-4-5-11(9-10)15-12(16)6-7-14-20(17,18)13-3-2-8-19-13/h2-3,8,10-11,14H,4-7,9H2,1H3,(H,15,16).
What are the key properties of N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 316.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 114550202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).