3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide

C17H24N2OS — CID 62879130

IUPAC3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCC1CCCCC1N(C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,6-8,11H2,1-2H3,(H2,18,21)
InChIKeyVCEFECPODVJHBT-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62879130) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62879130
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCC1CCCCC1N(C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,6-8,11H2,1-2H3,(H2,18,21)
InChIKeyVCEFECPODVJHBT-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62879130) is 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is CC1CCCCC1N(C)C(=O)C(C(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is VCEFECPODVJHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-8-6-7-11-14(12)19(2)17(20)15(16(18)21)13-9-4-3-5-10-13/h3-5,9-10,12,14-15H,6-8,11H2,1-2H3,(H2,18,21).
What are the key properties of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 304.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62879130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).