2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide

C12H24N2O2S2 — CID 61123883

IUPAC2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C12H24N2O2S2/c1-3-12(4-2,11(13)17)14-18(15,16)10-8-6-5-7-9-10/h10,14H,3-9H2,1-2H3,(H2,13,17)
InChIKeyWCDHEHUIBICQBB-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.08
Rot. Bonds6

About 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide

2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide (PubChem CID 61123883) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide
PubChem CID61123883
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC Name2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C12H24N2O2S2/c1-3-12(4-2,11(13)17)14-18(15,16)10-8-6-5-7-9-10/h10,14H,3-9H2,1-2H3,(H2,13,17)
InChIKeyWCDHEHUIBICQBB-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058906
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
CID 71057835
2-(Cyclohexylmethylsulfonylamino)-2-methylbutanethioamide
CID 54947105
2-(Cyclohexylmethylsulfonylamino)-2-methylpropanethioamide
CID 54947890
1-(2-Methylsulfonylethylsulfonylamino)cyclohexane-1-carbothioamide
CID 55174274
1-(3-Methylbutylsulfonylamino)cyclopentane-1-carbothioamide
CID 55259381
2-Ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
CID 55259382
2-(Cyclohexylsulfonylamino)-2-methylpropanethioamide
CID 61119255
1-(Cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122261
4-Methyl-1-(propylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122275
1-(Butylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122277
1-(Ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide (CID 61123883) is 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide is CCC(CC)(NS(=O)(=O)C1CCCCC1)C(N)=S.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide?
The InChIKey is WCDHEHUIBICQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-3-12(4-2,11(13)17)14-18(15,16)10-8-6-5-7-9-10/h10,14H,3-9H2,1-2H3,(H2,13,17).
What are the key properties of 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide?
2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide has a molecular weight of 292.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 61123883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).