1-(methylsulfamoylamino)cyclohexane-1-carbothioamide

C8H17N3O2S2 — CID 114808143

IUPAC1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCNS(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C8H17N3O2S2/c1-10-15(12,13)11-8(7(9)14)5-3-2-4-6-8/h10-11H,2-6H2,1H3,(H2,9,14)
InChIKeyXYVPIWZAUYZJFV-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.03
Rot. Bonds4

About 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide

1-(methylsulfamoylamino)cyclohexane-1-carbothioamide (PubChem CID 114808143) has the molecular formula C8H17N3O2S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
PubChem CID114808143
Molecular FormulaC8H17N3O2S2
Molecular Weight251.38 g/mol
Exact Mass251.08
IUPAC Name1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCNS(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C8H17N3O2S2/c1-10-15(12,13)11-8(7(9)14)5-3-2-4-6-8/h10-11H,2-6H2,1H3,(H2,9,14)
InChIKeyXYVPIWZAUYZJFV-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
1-(sulfamoylamino)cyclopentane-1-carbothioamide
CID 114959145
N'-hydroxy-1-(methylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978336
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808198
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
CID 82842928
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
methyl 2-[(1-carbamothioylcycloheptyl)sulfamoyl]propanoate
CID 61458579
1-(2-ethoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 63245658
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]cycloheptane-1-carbothioamide
CID 61122478

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide (CID 114808143) is 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide is CNS(=O)(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide?
The InChIKey is XYVPIWZAUYZJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S2/c1-10-15(12,13)11-8(7(9)14)5-3-2-4-6-8/h10-11H,2-6H2,1H3,(H2,9,14).
What are the key properties of 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide?
1-(methylsulfamoylamino)cyclohexane-1-carbothioamide has a molecular weight of 251.38 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 114808143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).