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

C10H19N3OS — CID 60730257

IUPAC2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)CC(N)=S
InChIInChI=1S/C10H19N3OS/c1-13(6-9(11)15)7-10(14)12-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,11,15)(H,12,14)
InChIKeyNHUQMOAKQPLJRU-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.26
Rot. Bonds5

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

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide (PubChem CID 60730257) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
PubChem CID60730257
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)CC(N)=S
InChIInChI=1S/C10H19N3OS/c1-13(6-9(11)15)7-10(14)12-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,11,15)(H,12,14)
InChIKeyNHUQMOAKQPLJRU-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.26
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-cyclohexylacetamide
CID 60729940
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
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
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide (CID 60730257) is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide is CN(CC(=O)NC1CCCC1)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide?
The InChIKey is NHUQMOAKQPLJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-13(6-9(11)15)7-10(14)12-8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide?
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide has a molecular weight of 229.35 g/mol, XLogP of 0.26, 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-cyclopentylacetamide is sourced from PubChem (CID 60730257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).