N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide

C11H20N2OS — CID 2771444

IUPACN-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=S)NC1CCCCC1
InChIInChI=1S/C11H20N2OS/c1-9(14)13(2)8-11(15)12-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,12,15)
InChIKeyBEZVHPUNLHJBMU-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.71
Rot. Bonds3

About N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide

N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide (PubChem CID 2771444) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide
PubChem CID2771444
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=S)NC1CCCCC1
InChIInChI=1S/C11H20N2OS/c1-9(14)13(2)8-11(15)12-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,12,15)
InChIKeyBEZVHPUNLHJBMU-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide (CID 2771444) is N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide is CC(=O)N(C)CC(=S)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide?
The InChIKey is BEZVHPUNLHJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(14)13(2)8-11(15)12-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide?
N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide has a molecular weight of 228.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-sulfanylideneethyl]-N-methylacetamide is sourced from PubChem (CID 2771444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).