(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide

C14H28N2O3S2 — CID 92845467

IUPAC(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H28N2O3S2/c1-4-21(18,19)16-13(9-10-20-3)14(17)15-12-7-5-11(2)6-8-12/h11-13,16H,4-10H2,1-3H3,(H,15,17)/t11?,12?,13-/m0/s1
InChIKeyKLINKEOXBYBNNH-BPCQOVAHSA-N
MW336.52 g/mol
LogP1.74
Rot. Bonds8

About (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide

(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide (PubChem CID 92845467) has the molecular formula C14H28N2O3S2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
PubChem CID92845467
Molecular FormulaC14H28N2O3S2
Molecular Weight336.52 g/mol
Exact Mass336.15
IUPAC Name(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H28N2O3S2/c1-4-21(18,19)16-13(9-10-20-3)14(17)15-12-7-5-11(2)6-8-12/h11-13,16H,4-10H2,1-3H3,(H,15,17)/t11?,12?,13-/m0/s1
InChIKeyKLINKEOXBYBNNH-BPCQOVAHSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
N-cyano-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 79194141
2-chloro-N-cyclohexyl-5-[[2-(ethylsulfonylamino)-4-methylsulfanylbutanoyl]amino]benzamide
CID 55905230
N-(2,3-dihydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 66178120
N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]ethanesulfonamide
CID 60717358
2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103867126
2-(cyclopropylmethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 64987474
2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103825245
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
(2S)-N-cyclohexyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 52894474
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide (CID 92845467) is (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide?
The InChIKey is KLINKEOXBYBNNH-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H28N2O3S2/c1-4-21(18,19)16-13(9-10-20-3)14(17)15-12-7-5-11(2)6-8-12/h11-13,16H,4-10H2,1-3H3,(H,15,17)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide?
(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide has a molecular weight of 336.52 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 92845467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).