2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide

C14H27N3O2S — CID 63285116

IUPAC2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
SMILESCOCCN(CCC(N)=S)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2S/c1-19-10-9-17(8-7-13(15)20)11-14(18)16-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,15,20)(H,16,18)
InChIKeyXIXSQUNXSVQILY-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.06
Rot. Bonds9

About 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide

2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide (PubChem CID 63285116) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
PubChem CID63285116
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
SMILESCOCCN(CCC(N)=S)CC(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2S/c1-19-10-9-17(8-7-13(15)20)11-14(18)16-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,15,20)(H,16,18)
InChIKeyXIXSQUNXSVQILY-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(4-morpholinyl)-2-thioxoacetamide
CID 2229217
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47006248
N-cyclohexyl-N'-(2-methoxyethyl)ethanediamide
CID 2853953
2-(4-acetamidopiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 3221016
2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 43556820
N-cyclohexyl-2-(2-ethoxyethylamino)acetamide
CID 43590984
2-(cyclohexylamino)-N-(2-methoxyethyl)acetamide
CID 54816445
N'-cyclohexyl-N-(2-methoxybutyl)oxamide
CID 142887799
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177055054
(2S)-2-(cyclohexylamino)-N-(2-methoxyethyl)butanamide
CID 177055170
2-[cyclohexyl(ethyl)amino]-N-(2-methoxyethyl)acetamide;molecular hydrogen
CID 177055466
N-cyclohexyl-2-morpholin-4-yl-2-oxoethanethioamide
CID 4312006

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide (CID 63285116) is 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide is COCCN(CCC(N)=S)CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide?
The InChIKey is XIXSQUNXSVQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-19-10-9-17(8-7-13(15)20)11-14(18)16-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,15,20)(H,16,18).
What are the key properties of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide?
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide has a molecular weight of 301.46 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 63285116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).