1-(ethylsulfonylamino)cyclooctane-1-carbothioamide

C11H22N2O2S2 — CID 61123577

IUPAC1-(ethylsulfonylamino)cyclooctane-1-carbothioamide
SMILESCCS(=O)(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C11H22N2O2S2/c1-2-17(14,15)13-11(10(12)16)8-6-4-3-5-7-9-11/h13H,2-9H2,1H3,(H2,12,16)
InChIKeyLVPGASUMGZUCCH-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.69
Rot. Bonds4

About 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide

1-(ethylsulfonylamino)cyclooctane-1-carbothioamide (PubChem CID 61123577) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide.

Molecular Properties

Compound Name1-(ethylsulfonylamino)cyclooctane-1-carbothioamide
PubChem CID61123577
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name1-(ethylsulfonylamino)cyclooctane-1-carbothioamide
SMILESCCS(=O)(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C11H22N2O2S2/c1-2-17(14,15)13-11(10(12)16)8-6-4-3-5-7-9-11/h13H,2-9H2,1H3,(H2,12,16)
InChIKeyLVPGASUMGZUCCH-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(ethylsulfonylamino)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-(Difluoromethylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123579
N-[1-(aminomethyl)cyclooctyl]ethanesulfonamide
CID 28940632
N-[1-(aminomethyl)cyclooctyl]butane-1-sulfonamide
CID 28940634
N-[1-(aminomethyl)cyclooctyl]propane-1-sulfonamide
CID 28940638
1-(2-Methoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 55014118
1-(Tert-butylsulfonylamino)cycloheptane-1-carbothioamide
CID 55233816
1-(Tert-butylsulfonylamino)cyclooctane-1-carbothioamide
CID 55234016
N-[1-(aminomethyl)cyclooctyl]-3-methylbutane-1-sulfonamide
CID 55261101
N-[1-(aminomethyl)cyclooctyl]propane-2-sulfonamide
CID 60859583
1-(Propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122658
N-(1-cyanocyclooctyl)propane-1-sulfonamide
CID 61122981
N-(1-cyanocyclooctyl)butane-1-sulfonamide
CID 61122985

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide?
The IUPAC name of 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide (CID 61123577) is 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide.
What is the SMILES notation for 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide?
The canonical SMILES for 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide is CCS(=O)(=O)NC1(C(N)=S)CCCCCCC1.
What is the InChIKey of 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide?
The InChIKey is LVPGASUMGZUCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-2-17(14,15)13-11(10(12)16)8-6-4-3-5-7-9-11/h13H,2-9H2,1H3,(H2,12,16).
What are the key properties of 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide?
1-(ethylsulfonylamino)cyclooctane-1-carbothioamide has a molecular weight of 278.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfonylamino)cyclooctane-1-carbothioamide is sourced from PubChem (CID 61123577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).