1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide

C10H19N3O2S2 — CID 114808146

IUPAC1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NC2CC2)CCCCC1
InChIInChI=1S/C10H19N3O2S2/c11-9(16)10(6-2-1-3-7-10)13-17(14,15)12-8-4-5-8/h8,12-13H,1-7H2,(H2,11,16)
InChIKeyXZMLALMPQUILRN-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.56
Rot. Bonds5

About 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide

1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide (PubChem CID 114808146) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide
PubChem CID114808146
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NC2CC2)CCCCC1
InChIInChI=1S/C10H19N3O2S2/c11-9(16)10(6-2-1-3-7-10)13-17(14,15)12-8-4-5-8/h8,12-13H,1-7H2,(H2,11,16)
InChIKeyXZMLALMPQUILRN-UHFFFAOYSA-N
XLogP0.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.56
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-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808141
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carbothioamide
CID 54947201
2-(Cyclohexylmethylsulfonylamino)-2-cyclopropylethanethioamide
CID 64420490
2-Cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide
CID 64552417
2-Cyclohexyl-2-(cyclopropylmethylsulfonylamino)ethanethioamide
CID 64987331
1-(Propan-2-ylsulfamoylamino)cyclohexane-1-carbothioamide
CID 113637071
1-(Ethylsulfamoylamino)-4-methylcyclohexane-1-carbothioamide
CID 113637072
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbothioamide
CID 113637076
2-Cyclohexyl-2-(propylsulfamoylamino)ethanethioamide
CID 113637079
2-Cyclohexyl-2-(cyclopropylsulfamoylamino)ethanethioamide
CID 113637080
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine
CID 114803340
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808140

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide (CID 114808146) is 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)NC2CC2)CCCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide?
The InChIKey is XZMLALMPQUILRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c11-9(16)10(6-2-1-3-7-10)13-17(14,15)12-8-4-5-8/h8,12-13H,1-7H2,(H2,11,16).
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide?
1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide has a molecular weight of 277.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 114808146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).