N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide

C11H20N2OS — CID 103163676

IUPACN-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
SMILESCCCN(CC(N)=S)C(=O)CC1CCC1
InChIInChI=1S/C11H20N2OS/c1-2-6-13(8-10(12)15)11(14)7-9-4-3-5-9/h9H,2-8H2,1H3,(H2,12,15)
InChIKeyNUHHEQZZBPQFHH-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.70
Rot. Bonds6

About N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide

N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide (PubChem CID 103163676) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
PubChem CID103163676
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
SMILESCCCN(CC(N)=S)C(=O)CC1CCC1
InChIInChI=1S/C11H20N2OS/c1-2-6-13(8-10(12)15)11(14)7-9-4-3-5-9/h9H,2-8H2,1H3,(H2,12,15)
InChIKeyNUHHEQZZBPQFHH-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
CID 65155966
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956
N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
CID 61381682
1-(2-amino-2-sulfanylideneethyl)-3,3-dimethyl-1-propylurea
CID 79154517
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
CID 103161528
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-4-yl-N-propylacetamide
CID 54916167

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide (CID 103163676) is N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide is CCCN(CC(N)=S)C(=O)CC1CCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide?
The InChIKey is NUHHEQZZBPQFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-6-13(8-10(12)15)11(14)7-9-4-3-5-9/h9H,2-8H2,1H3,(H2,12,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide has a molecular weight of 228.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide is sourced from PubChem (CID 103163676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).