(2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide

C13H26N2O3S — CID 96547521

IUPAC(2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
SMILESCCNS(=O)(=O)CCNC(=O)[C@@H](C)CC1CCCC1
InChIInChI=1S/C13H26N2O3S/c1-3-15-19(17,18)9-8-14-13(16)11(2)10-12-6-4-5-7-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyAUJKPXIGXQHDNP-NSHDSACASA-N
MW290.43 g/mol
LogP1.26
Rot. Bonds8

About (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide

(2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide (PubChem CID 96547521) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
PubChem CID96547521
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name(2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide
SMILESCCNS(=O)(=O)CCNC(=O)[C@@H](C)CC1CCCC1
InChIInChI=1S/C13H26N2O3S/c1-3-15-19(17,18)9-8-14-13(16)11(2)10-12-6-4-5-7-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyAUJKPXIGXQHDNP-NSHDSACASA-N
XLogP1.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide (CID 96547521) is (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide is CCNS(=O)(=O)CCNC(=O)[C@@H](C)CC1CCCC1.
What is the InChIKey of (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
The InChIKey is AUJKPXIGXQHDNP-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-15-19(17,18)9-8-14-13(16)11(2)10-12-6-4-5-7-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide?
(2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-[2-(ethylsulfamoyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 96547521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).