N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide

C12H22N2O2S — CID 82103917

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
SMILESCOCC(=O)N(CCC(N)=S)C1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-16-9-12(15)14(8-7-11(13)17)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,17)
InChIKeyHCMSZAHEAYQMHZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.47
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide (PubChem CID 82103917) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
PubChem CID82103917
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
SMILESCOCC(=O)N(CCC(N)=S)C1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-16-9-12(15)14(8-7-11(13)17)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,17)
InChIKeyHCMSZAHEAYQMHZ-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-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
CID 82103905
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxyacetamide
CID 102866415
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
CID 63284977
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
CID 82103913
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentyl-4-methylbenzamide
CID 82103884
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 112602755
methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide (CID 82103917) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide is COCC(=O)N(CCC(N)=S)C1CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide?
The InChIKey is HCMSZAHEAYQMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-16-9-12(15)14(8-7-11(13)17)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide 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-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide is sourced from PubChem (CID 82103917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).