2-(cyclohexylsulfonylamino)pentanethioamide

C11H22N2O2S2 — CID 61123847

IUPAC2-(cyclohexylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C11H22N2O2S2/c1-2-6-10(11(12)16)13-17(14,15)9-7-4-3-5-8-9/h9-10,13H,2-8H2,1H3,(H2,12,16)
InChIKeyXDMPBTFICXGFRA-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.69
Rot. Bonds6

About 2-(cyclohexylsulfonylamino)pentanethioamide

2-(cyclohexylsulfonylamino)pentanethioamide (PubChem CID 61123847) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)pentanethioamide
PubChem CID61123847
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name2-(cyclohexylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C11H22N2O2S2/c1-2-6-10(11(12)16)13-17(14,15)9-7-4-3-5-8-9/h9-10,13H,2-8H2,1H3,(H2,12,16)
InChIKeyXDMPBTFICXGFRA-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 2-(cyclohexylsulfonylamino)pentanethioamide 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

2-(difluoromethylsulfonylamino)pentanethioamide
CID 61122650
2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
N-(4-aminobutan-2-yl)cyclohexanesulfonamide
CID 62093489
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 107823923
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100
3-(cyclohexylsulfonylamino)propanethioamide
CID 62667102
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
(2R)-2-[[cyclohexyl(methyl)sulfamoyl]amino]pentanoic acid
CID 93252484

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)pentanethioamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)pentanethioamide (CID 61123847) is 2-(cyclohexylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)C1CCCCC1)C(N)=S.
What is the InChIKey of 2-(cyclohexylsulfonylamino)pentanethioamide?
The InChIKey is XDMPBTFICXGFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-2-6-10(11(12)16)13-17(14,15)9-7-4-3-5-8-9/h9-10,13H,2-8H2,1H3,(H2,12,16).
What are the key properties of 2-(cyclohexylsulfonylamino)pentanethioamide?
2-(cyclohexylsulfonylamino)pentanethioamide has a molecular weight of 278.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)pentanethioamide is sourced from PubChem (CID 61123847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).