1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide

C11H23N3O2S2 — CID 61122078

IUPAC1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCCN(CC)S(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C11H23N3O2S2/c1-3-14(4-2)18(15,16)13-11(10(12)17)8-6-5-7-9-11/h13H,3-9H2,1-2H3,(H2,12,17)
InChIKeyNKSDMNPDAFMVTE-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.15
Rot. Bonds6

About 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide

1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide (PubChem CID 61122078) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide
PubChem CID61122078
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide
SMILESCCN(CC)S(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C11H23N3O2S2/c1-3-14(4-2)18(15,16)13-11(10(12)17)8-6-5-7-9-11/h13H,3-9H2,1-2H3,(H2,12,17)
InChIKeyNKSDMNPDAFMVTE-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.15
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-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
1-Amino-1-[(dipropylsulfamoylamino)methyl]cyclohexane
CID 43598170
1-Amino-1-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 43598188
1-Amino-1-[(diethylsulfamoylamino)methyl]cyclohexane
CID 43598190
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)-4-ethylcyclohexane-1-carbothioamide
CID 61122082
1-[(3-Methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61122268
1-(Piperidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122272
1-[(4-Methylpiperidin-1-yl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61122274

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide?
The IUPAC name of 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide (CID 61122078) is 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide?
The canonical SMILES for 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide is CCN(CC)S(=O)(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide?
The InChIKey is NKSDMNPDAFMVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-3-14(4-2)18(15,16)13-11(10(12)17)8-6-5-7-9-11/h13H,3-9H2,1-2H3,(H2,12,17).
What are the key properties of 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide?
1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide has a molecular weight of 293.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)cyclohexane-1-carbothioamide is sourced from PubChem (CID 61122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).