2-(cyclohexylsulfonylamino)-2-methylpropanethioamide

C10H20N2O2S2 — CID 61119255

IUPAC2-(cyclohexylsulfonylamino)-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C10H20N2O2S2/c1-10(2,9(11)15)12-16(13,14)8-6-4-3-5-7-8/h8,12H,3-7H2,1-2H3,(H2,11,15)
InChIKeyJZKKDQNABWVXNF-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.30
Rot. Bonds4

About 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide

2-(cyclohexylsulfonylamino)-2-methylpropanethioamide (PubChem CID 61119255) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-2-methylpropanethioamide
PubChem CID61119255
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name2-(cyclohexylsulfonylamino)-2-methylpropanethioamide
SMILESCC(C)(NS(=O)(=O)C1CCCCC1)C(N)=S
InChIInChI=1S/C10H20N2O2S2/c1-10(2,9(11)15)12-16(13,14)8-6-4-3-5-7-8/h8,12H,3-7H2,1-2H3,(H2,11,15)
InChIKeyJZKKDQNABWVXNF-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-tert-butylcyclohexanesulfonamide
CID 63821619
N-(2-methylbutan-2-yl)cyclohexanesulfonamide
CID 127283941
2-(Cyclohexylmethylsulfonylamino)-2-methylbutanethioamide
CID 54947105
2-(Cyclohexylmethylsulfonylamino)-2-methylpropanethioamide
CID 54947890
2-Methyl-2-(propan-2-ylsulfonylamino)propanethioamide
CID 61121230
2-Methyl-2-(propylsulfonylamino)propanethioamide
CID 61121430
2-(Butylsulfonylamino)-2-methylpropanethioamide
CID 61121627
2-(Ethylsulfonylamino)-2-methylpropanethioamide
CID 61121628
2-(Cyclohexylsulfonylamino)propanethioamide
CID 61122239
2-(Cyclohexylsulfonylamino)butanethioamide
CID 61122246
2-Ethyl-2-(propan-2-ylsulfonylamino)butanethioamide
CID 61123097
2-Ethyl-2-(propylsulfonylamino)butanethioamide
CID 61123490

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide (CID 61119255) is 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide is CC(C)(NS(=O)(=O)C1CCCCC1)C(N)=S.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide?
The InChIKey is JZKKDQNABWVXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-10(2,9(11)15)12-16(13,14)8-6-4-3-5-7-8/h8,12H,3-7H2,1-2H3,(H2,11,15).
What are the key properties of 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide?
2-(cyclohexylsulfonylamino)-2-methylpropanethioamide has a molecular weight of 264.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-2-methylpropanethioamide is sourced from PubChem (CID 61119255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).