3-(cyclohexylsulfonylamino)propanethioamide

C9H18N2O2S2 — CID 62667102

IUPAC3-(cyclohexylsulfonylamino)propanethioamide
SMILESNC(=S)CCNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H18N2O2S2/c10-9(14)6-7-11-15(12,13)8-4-2-1-3-5-8/h8,11H,1-7H2,(H2,10,14)
InChIKeyCJDFTHBIKDFJFY-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.91
Rot. Bonds5

About 3-(cyclohexylsulfonylamino)propanethioamide

3-(cyclohexylsulfonylamino)propanethioamide (PubChem CID 62667102) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(cyclohexylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name3-(cyclohexylsulfonylamino)propanethioamide
PubChem CID62667102
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name3-(cyclohexylsulfonylamino)propanethioamide
SMILESNC(=S)CCNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H18N2O2S2/c10-9(14)6-7-11-15(12,13)8-4-2-1-3-5-8/h8,11H,1-7H2,(H2,10,14)
InChIKeyCJDFTHBIKDFJFY-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfonylamino)propanethioamide?
The IUPAC name of 3-(cyclohexylsulfonylamino)propanethioamide (CID 62667102) is 3-(cyclohexylsulfonylamino)propanethioamide.
What is the SMILES notation for 3-(cyclohexylsulfonylamino)propanethioamide?
The canonical SMILES for 3-(cyclohexylsulfonylamino)propanethioamide is NC(=S)CCNS(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexylsulfonylamino)propanethioamide?
The InChIKey is CJDFTHBIKDFJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c10-9(14)6-7-11-15(12,13)8-4-2-1-3-5-8/h8,11H,1-7H2,(H2,10,14).
What are the key properties of 3-(cyclohexylsulfonylamino)propanethioamide?
3-(cyclohexylsulfonylamino)propanethioamide has a molecular weight of 250.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfonylamino)propanethioamide is sourced from PubChem (CID 62667102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).