1-(butylsulfonylamino)cyclopentane-1-carbothioamide

C10H20N2O2S2 — CID 61123462

IUPAC1-(butylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCCCCS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H20N2O2S2/c1-2-3-8-16(13,14)12-10(9(11)15)6-4-5-7-10/h12H,2-8H2,1H3,(H2,11,15)
InChIKeyYDOXWVBCYPRPLG-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.30
Rot. Bonds6

About 1-(butylsulfonylamino)cyclopentane-1-carbothioamide

1-(butylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 61123462) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(butylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(butylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID61123462
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name1-(butylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCCCCS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H20N2O2S2/c1-2-3-8-16(13,14)12-10(9(11)15)6-4-5-7-10/h12H,2-8H2,1H3,(H2,11,15)
InChIKeyYDOXWVBCYPRPLG-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(butylsulfonylamino)cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of 1-(butylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(butylsulfonylamino)cyclopentane-1-carbothioamide (CID 61123462) is 1-(butylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(butylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(butylsulfonylamino)cyclopentane-1-carbothioamide is CCCCS(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(butylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is YDOXWVBCYPRPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-2-3-8-16(13,14)12-10(9(11)15)6-4-5-7-10/h12H,2-8H2,1H3,(H2,11,15).
What are the key properties of 1-(butylsulfonylamino)cyclopentane-1-carbothioamide?
1-(butylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 264.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61123462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).