2-(cyclohexylsulfonylamino)propanethioamide

C9H18N2O2S2 — CID 61122239

IUPAC2-(cyclohexylsulfonylamino)propanethioamide
SMILESCC(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C9H18N2O2S2/c1-7(9(10)14)11-15(12,13)8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3,(H2,10,14)
InChIKeyVNQNNIHGAYFWIQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.91
Rot. Bonds4

About 2-(cyclohexylsulfonylamino)propanethioamide

2-(cyclohexylsulfonylamino)propanethioamide (PubChem CID 61122239) has the molecular formula C9H18N2O2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)propanethioamide
PubChem CID61122239
Molecular FormulaC9H18N2O2S2
Molecular Weight250.39 g/mol
Exact Mass250.08
IUPAC Name2-(cyclohexylsulfonylamino)propanethioamide
SMILESCC(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C9H18N2O2S2/c1-7(9(10)14)11-15(12,13)8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3,(H2,10,14)
InChIKeyVNQNNIHGAYFWIQ-UHFFFAOYSA-N
XLogP0.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

(Ethylsulfonyl){4-[(ethylsulfonyl)amino]cyclohexyl}amine
CID 3575827
trans Ethanesulfonic acid (4-amino-cyclohexyl)-amide
CID 10444438
trans-Propane-1-sulfonic acid (4-aminocyclohexyl)-amide
CID 43653497
N-(2-aminoethyl)cyclohexanesulfonamide
CID 58685056
N-(2-aminocyclohexyl)ethanesulfonamide
CID 61036878
N-butan-2-ylcyclohexanesulfonamide
CID 63362858
N-(propan-2-yl)cyclohexanesulfonamide
CID 64294806
N-(2-aminocyclohexyl)butane-2-sulfonamide
CID 66808462
N-cyclohexyl-1-sulfanylethanesulfonamide
CID 164029876
N-[(1R,2R)-2-(butylsulfonylamino)cyclohexyl]butane-1-sulfonamide
CID 11420031
N-(4-aminocyclohexyl)butane-1-sulfonamide
CID 43653499
N-[4-(propylsulfonylamino)cyclohexyl]propane-1-sulfonamide
CID 47108386

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)propanethioamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)propanethioamide (CID 61122239) is 2-(cyclohexylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)propanethioamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)propanethioamide is CC(NS(=O)(=O)C1CCCCC1)C(N)=S.
What is the InChIKey of 2-(cyclohexylsulfonylamino)propanethioamide?
The InChIKey is VNQNNIHGAYFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S2/c1-7(9(10)14)11-15(12,13)8-5-3-2-4-6-8/h7-8,11H,2-6H2,1H3,(H2,10,14).
What are the key properties of 2-(cyclohexylsulfonylamino)propanethioamide?
2-(cyclohexylsulfonylamino)propanethioamide has a molecular weight of 250.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)propanethioamide is sourced from PubChem (CID 61122239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).