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

C17H24N2OS — CID 64748044

IUPAC3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCC1CCCC(NC(=O)C(C(N)=S)c2ccccc2)C1
InChIInChI=1S/C17H24N2OS/c1-2-12-7-6-10-14(11-12)19-17(20)15(16(18)21)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,2,6-7,10-11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyIJYNJQLOYWTTAL-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.14
Rot. Bonds5

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

3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 64748044) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID64748044
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCC1CCCC(NC(=O)C(C(N)=S)c2ccccc2)C1
InChIInChI=1S/C17H24N2OS/c1-2-12-7-6-10-14(11-12)19-17(20)15(16(18)21)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,2,6-7,10-11H2,1H3,(H2,18,21)(H,19,20)
InChIKeyIJYNJQLOYWTTAL-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-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877747
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119957507
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
CID 64748437
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (CID 64748044) is 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is CCC1CCCC(NC(=O)C(C(N)=S)c2ccccc2)C1.
What is the InChIKey of 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is IJYNJQLOYWTTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-12-7-6-10-14(11-12)19-17(20)15(16(18)21)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,2,6-7,10-11H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-(3-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-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 64748044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).