(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide

C13H26N2O3S — CID 164634357

IUPAC(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)CCC1CCCCC1
InChIInChI=1S/C13H26N2O3S/c1-3-14-13(16)11(2)15-19(17,18)10-9-12-7-5-4-6-8-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPRDRRPSECHMWIV-NSHDSACASA-N
MW290.43 g/mol
LogP1.40
Rot. Bonds7

About (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide

(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide (PubChem CID 164634357) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide
PubChem CID164634357
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)CCC1CCCCC1
InChIInChI=1S/C13H26N2O3S/c1-3-14-13(16)11(2)15-19(17,18)10-9-12-7-5-4-6-8-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPRDRRPSECHMWIV-NSHDSACASA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide?
The IUPAC name of (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide (CID 164634357) is (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide?
The canonical SMILES for (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide is CCNC(=O)[C@H](C)NS(=O)(=O)CCC1CCCCC1.
What is the InChIKey of (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide?
The InChIKey is PRDRRPSECHMWIV-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-14-13(16)11(2)15-19(17,18)10-9-12-7-5-4-6-8-12/h11-12,15H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide?
(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide is sourced from PubChem (CID 164634357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).