1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide

C11H23N3O2S2 — CID 61123581

IUPAC1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide
SMILESCN(C)S(=O)(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C11H23N3O2S2/c1-14(2)18(15,16)13-11(10(12)17)8-6-4-3-5-7-9-11/h13H,3-9H2,1-2H3,(H2,12,17)
InChIKeyJFPYNCHTQVPYHV-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.15
Rot. Bonds4

About 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide

1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide (PubChem CID 61123581) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide
PubChem CID61123581
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide
SMILESCN(C)S(=O)(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C11H23N3O2S2/c1-14(2)18(15,16)13-11(10(12)17)8-6-4-3-5-7-9-11/h13H,3-9H2,1-2H3,(H2,12,17)
InChIKeyJFPYNCHTQVPYHV-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
1-(Tert-butylsulfonylamino)cyclooctane-1-carbothioamide
CID 55234016
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
1-(Dimethylsulfamoylamino)-4-ethylcyclohexane-1-carbothioamide
CID 61122674
1-(Dimethylsulfamoylamino)cyclohexane-1-carbothioamide
CID 61122869
1-(Dimethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 61123085
1-(Pyrrolidin-1-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123580
1-(Methanesulfonamido)cyclooctane-1-carbothioamide
CID 61123753
1-(Diethylsulfamoylamino)cyclooctane-1-carbothioamide
CID 61123759
1-(Piperidin-1-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123760
1-(Diethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 61125072
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclooctane-1-carbothioamide
CID 61453591

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide?
The IUPAC name of 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide (CID 61123581) is 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide.
What is the SMILES notation for 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide?
The canonical SMILES for 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide is CN(C)S(=O)(=O)NC1(C(N)=S)CCCCCCC1.
What is the InChIKey of 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide?
The InChIKey is JFPYNCHTQVPYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-14(2)18(15,16)13-11(10(12)17)8-6-4-3-5-7-9-11/h13H,3-9H2,1-2H3,(H2,12,17).
What are the key properties of 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide?
1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide has a molecular weight of 293.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)cyclooctane-1-carbothioamide is sourced from PubChem (CID 61123581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).