2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide

C12H25N3O2S2 — CID 61122304

IUPAC2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide
SMILESCCN(CC)S(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C12H25N3O2S2/c1-3-15(4-2)19(16,17)14-11(12(13)18)10-8-6-5-7-9-10/h10-11,14H,3-9H2,1-2H3,(H2,13,18)
InChIKeyKTHOCBQKJSFERO-UHFFFAOYSA-N
MW307.49 g/mol
LogP1.40
Rot. Bonds7

About 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide

2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide (PubChem CID 61122304) has the molecular formula C12H25N3O2S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide
PubChem CID61122304
Molecular FormulaC12H25N3O2S2
Molecular Weight307.49 g/mol
Exact Mass307.14
IUPAC Name2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide
SMILESCCN(CC)S(=O)(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C12H25N3O2S2/c1-3-15(4-2)19(16,17)14-11(12(13)18)10-8-6-5-7-9-10/h10-11,14H,3-9H2,1-2H3,(H2,13,18)
InChIKeyKTHOCBQKJSFERO-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 51.40
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
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 58821835
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317
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
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122274
2-Cyclohexyl-2-(piperidin-1-ylsulfonylamino)ethanethioamide
CID 61122498
2-Cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
CID 61122500
[2-Amino-1-(diethylsulfamoylamino)ethyl]cyclohexane
CID 61122575

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide (CID 61122304) is 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide is CCN(CC)S(=O)(=O)NC(C(N)=S)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide?
The InChIKey is KTHOCBQKJSFERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S2/c1-3-15(4-2)19(16,17)14-11(12(13)18)10-8-6-5-7-9-10/h10-11,14H,3-9H2,1-2H3,(H2,13,18).
What are the key properties of 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide?
2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide has a molecular weight of 307.49 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 61122304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).