2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide

C11H20N2O2S2 — CID 64552417

IUPAC2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C11H20N2O2S2/c12-11(16)10(8-4-2-1-3-5-8)13-17(14,15)9-6-7-9/h8-10,13H,1-7H2,(H2,12,16)
InChIKeyZVJRIAHWOMBNQX-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.30
Rot. Bonds5

About 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide

2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide (PubChem CID 64552417) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide
PubChem CID64552417
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C11H20N2O2S2/c12-11(16)10(8-4-2-1-3-5-8)13-17(14,15)9-6-7-9/h8-10,13H,1-7H2,(H2,12,16)
InChIKeyZVJRIAHWOMBNQX-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide (CID 64552417) is 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide is NC(=S)C(NS(=O)(=O)C1CC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide?
The InChIKey is ZVJRIAHWOMBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c12-11(16)10(8-4-2-1-3-5-8)13-17(14,15)9-6-7-9/h8-10,13H,1-7H2,(H2,12,16).
What are the key properties of 2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide?
2-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide has a molecular weight of 276.43 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-cyclohexyl-2-(cyclopropylsulfonylamino)ethanethioamide is sourced from PubChem (CID 64552417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).