2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide

C14H27NO3S2 — CID 53328388

IUPAC2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide
SMILESCCSCCNC(=O)C(C)(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H27NO3S2/c1-4-19-11-10-15-13(16)14(2,3)20(17,18)12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyPXPWTVPJHUKQNL-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.38
Rot. Bonds7

About 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide

2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide (PubChem CID 53328388) has the molecular formula C14H27NO3S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide
PubChem CID53328388
Molecular FormulaC14H27NO3S2
Molecular Weight321.51 g/mol
Exact Mass321.14
IUPAC Name2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide
SMILESCCSCCNC(=O)C(C)(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H27NO3S2/c1-4-19-11-10-15-13(16)14(2,3)20(17,18)12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,15,16)
InChIKeyPXPWTVPJHUKQNL-UHFFFAOYSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide?
The IUPAC name of 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide (CID 53328388) is 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide?
The canonical SMILES for 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide is CCSCCNC(=O)C(C)(C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide?
The InChIKey is PXPWTVPJHUKQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S2/c1-4-19-11-10-15-13(16)14(2,3)20(17,18)12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide?
2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide has a molecular weight of 321.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-N-(2-ethylsulfanylethyl)-2-methylpropanamide is sourced from PubChem (CID 53328388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).