2-cyclohexyl-2-(methanesulfonamido)ethanethioamide

C9H18N2O2S2 — CID 61122103

IUPAC2-cyclohexyl-2-(methanesulfonamido)ethanethioamide
SMILESCS(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C9H18N2O2S2/c1-15(12,13)11-8(9(10)14)7-5-3-2-4-6-7/h7-8,11H,2-6H2,1H3,(H2,10,14)
InChIKeySPHNPURTQJEMNW-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.77
Rot. Bonds4

About 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide

2-cyclohexyl-2-(methanesulfonamido)ethanethioamide (PubChem CID 61122103) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(methanesulfonamido)ethanethioamide
PubChem CID61122103
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name2-cyclohexyl-2-(methanesulfonamido)ethanethioamide
SMILESCS(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C9H18N2O2S2/c1-15(12,13)11-8(9(10)14)7-5-3-2-4-6-7/h7-8,11H,2-6H2,1H3,(H2,10,14)
InChIKeySPHNPURTQJEMNW-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.77
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-Cyclohexyl-2-(difluoromethylsulfonylamino)ethanethioamide
CID 61122303
2-Cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanethioamide
CID 83048164
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1S)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850243
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850244
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808182
N-(4-ethylcyclohexyl)methanesulfonamide
CID 22772399
N-(4-ethylcyclohexyl)butane-1-sulfonamide
CID 22772401
5-Cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide
CID 57018256
5-Cyclohexyl-4-(methanesulfonamido)pentane-1-sulfonamide
CID 57233988
N-[[4-(methanesulfonamido)cyclohexyl]methyl]methanesulfonamide
CID 57747888
N-[(1r,4r)-4-(aminomethyl)cyclohexyl]methanesulfonamide
CID 57747895

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide (CID 61122103) is 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide is CS(=O)(=O)NC(C(N)=S)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide?
The InChIKey is SPHNPURTQJEMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c1-15(12,13)11-8(9(10)14)7-5-3-2-4-6-7/h7-8,11H,2-6H2,1H3,(H2,10,14).
What are the key properties of 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide?
2-cyclohexyl-2-(methanesulfonamido)ethanethioamide has a molecular weight of 250.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(methanesulfonamido)ethanethioamide is sourced from PubChem (CID 61122103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).