2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide

C10H21N3O2S2 — CID 61123106

IUPAC2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide
SMILESCN(C)S(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C10H21N3O2S2/c1-13(2)17(14,15)12-9(10(11)16)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyWDQGOGLRSNQEPY-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.62
Rot. Bonds5

About 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide

2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide (PubChem CID 61123106) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide
PubChem CID61123106
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide
SMILESCN(C)S(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C10H21N3O2S2/c1-13(2)17(14,15)12-9(10(11)16)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyWDQGOGLRSNQEPY-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.62
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-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808182
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine
CID 70870754
1-(Dimethylsulfamoylamino)-4-propylcyclohexane
CID 53534857
2-(Cyclohexylmethylsulfonylamino)pentanethioamide
CID 54947104
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carbothioamide
CID 54947201
[2-Amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexane
CID 54947877
1-(Diethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122078
1-(Diethylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 61122082
2-Cyclohexyl-2-(methanesulfonamido)ethanethioamide
CID 61122103
2-Cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide
CID 61122304
2-Cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide
CID 61122498

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide (CID 61123106) is 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide is CN(C)S(=O)(=O)NC(C(N)=S)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide?
The InChIKey is WDQGOGLRSNQEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-13(2)17(14,15)12-9(10(11)16)8-6-4-3-5-7-8/h8-9,12H,3-7H2,1-2H3,(H2,11,16).
What are the key properties of 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide?
2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(dimethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 61123106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).