2-(cyclohexylsulfonylamino)butanethioamide

C10H20N2O2S2 — CID 61122246

IUPAC2-(cyclohexylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C10H20N2O2S2/c1-2-9(10(11)15)12-16(13,14)8-6-4-3-5-7-8/h8-9,12H,2-7H2,1H3,(H2,11,15)
InChIKeyDKFLURRPMQLXSG-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.30
Rot. Bonds5

About 2-(cyclohexylsulfonylamino)butanethioamide

2-(cyclohexylsulfonylamino)butanethioamide (PubChem CID 61122246) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)butanethioamide
PubChem CID61122246
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2-(cyclohexylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C10H20N2O2S2/c1-2-9(10(11)15)12-16(13,14)8-6-4-3-5-7-8/h8-9,12H,2-7H2,1H3,(H2,11,15)
InChIKeyDKFLURRPMQLXSG-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

2-amino-N-cyclohexylethane-1-sulfonamide hydrochloride
CID 16188493
2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
(Ethylsulfonyl){4-[(ethylsulfonyl)amino]cyclohexyl}amine
CID 3575827
2-amino-N-cyclohexylethanesulfonamide chloride
CID 53347795
N-cyclohexylethanesulfonamide
CID 5225345
N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride
CID 10444437
trans Ethanesulfonic acid (4-amino-cyclohexyl)-amide
CID 10444438
N-cyclohexyl-isopropanesulfonamide
CID 13053802
trans-Propane-1-sulfonic acid (4-aminocyclohexyl)-amide
CID 43653497
N-cyclohexylpropane-1-sulfonamide
CID 57790053
N-cyclohexylbutane-2-sulfonamide
CID 59716186

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)butanethioamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)butanethioamide (CID 61122246) is 2-(cyclohexylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)C1CCCCC1)C(N)=S.
What is the InChIKey of 2-(cyclohexylsulfonylamino)butanethioamide?
The InChIKey is DKFLURRPMQLXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-2-9(10(11)15)12-16(13,14)8-6-4-3-5-7-8/h8-9,12H,2-7H2,1H3,(H2,11,15).
What are the key properties of 2-(cyclohexylsulfonylamino)butanethioamide?
2-(cyclohexylsulfonylamino)butanethioamide has a molecular weight of 264.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)butanethioamide is sourced from PubChem (CID 61122246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).