2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide

C11H21N3OS — CID 60729940

IUPAC2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)CC(N)=S
InChIInChI=1S/C11H21N3OS/c1-14(7-10(12)16)8-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,16)(H,13,15)
InChIKeyXIYBHHIQVJNWDP-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.65
Rot. Bonds5

About 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide (PubChem CID 60729940) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
PubChem CID60729940
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)CC(N)=S
InChIInChI=1S/C11H21N3OS/c1-14(7-10(12)16)8-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,16)(H,13,15)
InChIKeyXIYBHHIQVJNWDP-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.65
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-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
N-cycloheptyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 115758301
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide (CID 60729940) is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide is CN(CC(=O)NC1CCCCC1)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide?
The InChIKey is XIYBHHIQVJNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-14(7-10(12)16)8-11(15)13-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide?
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide has a molecular weight of 243.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 60729940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).