N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide

C12H22N2O2S — CID 112602755

IUPACN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CC(N)=S)C1CCCC1
InChIInChI=1S/C12H22N2O2S/c1-9(2)16-8-12(15)14(7-11(13)17)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,13,17)
InChIKeyRWSPBDFLYXXFBA-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.47
Rot. Bonds6

About N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide

N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide (PubChem CID 112602755) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
PubChem CID112602755
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CC(N)=S)C1CCCC1
InChIInChI=1S/C12H22N2O2S/c1-9(2)16-8-12(15)14(7-11(13)17)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,13,17)
InChIKeyRWSPBDFLYXXFBA-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-(2-aminoethyl)-N-cyclohexyl-2-propan-2-yloxyacetamide
CID 112604227
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 46990211
N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide
CID 102872450
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103208450
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide
CID 79152105
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
CID 77044603
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112602446
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
CID 107940599

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide (CID 112602755) is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(CC(N)=S)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide?
The InChIKey is RWSPBDFLYXXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(2)16-8-12(15)14(7-11(13)17)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H2,13,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide?
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide has a molecular weight of 258.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112602755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).