1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide

C9H19N3O2S2 — CID 61122869

IUPAC1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCN(C)S(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C9H19N3O2S2/c1-12(2)16(13,14)11-9(8(10)15)6-4-3-5-7-9/h11H,3-7H2,1-2H3,(H2,10,15)
InChIKeyGJTDXBLMQAXRRL-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds4

About 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide

1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide (PubChem CID 61122869) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide
PubChem CID61122869
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCN(C)S(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C9H19N3O2S2/c1-12(2)16(13,14)11-9(8(10)15)6-4-3-5-7-9/h11H,3-7H2,1-2H3,(H2,10,15)
InChIKeyGJTDXBLMQAXRRL-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.37
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

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-Amino-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 43598188
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carbothioamide
CID 54947201
1-(Diethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122078
1-(Diethylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 61122082
2-(Dimethylsulfamoylamino)-2-ethylbutanethioamide
CID 61122098
1-(Piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122272
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122274
2-Cyclohexyl-2-(diethylsulfamoylamino)ethanethioamide
CID 61122304
1-(Pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122468

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide (CID 61122869) is 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide is CN(C)S(=O)(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide?
The InChIKey is GJTDXBLMQAXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-12(2)16(13,14)11-9(8(10)15)6-4-3-5-7-9/h11H,3-7H2,1-2H3,(H2,10,15).
What are the key properties of 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide?
1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide has a molecular weight of 265.40 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 61122869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).