3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide

C17H24N2OS — CID 62877747

IUPAC3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCC1CCCCC1NC(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-2-12-8-6-7-11-14(12)19-17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,2,6-8,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyFGDRMXFWGMPTJF-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.14
Rot. Bonds5

About 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62877747) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62877747
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCC1CCCCC1NC(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-2-12-8-6-7-11-14(12)19-17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,2,6-8,11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyFGDRMXFWGMPTJF-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 64748044
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 103951115
N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
CID 106366938
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
N-[2-(aminomethyl)cyclopentyl]-2-(diethylamino)-2-phenylacetamide
CID 119602222
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
CID 63591247
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62877747) is 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is CCC1CCCCC1NC(=O)C(C(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is FGDRMXFWGMPTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-12-8-6-7-11-14(12)19-17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,2,6-8,11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 304.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62877747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).