3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide

C15H22N2OS — CID 62877901

IUPAC3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCN(CC(C)C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-4-17(10-11(2)3)15(18)13(14(16)19)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H2,16,19)
InChIKeyFHUOLDQFIITGSV-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.56
Rot. Bonds6

About 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 62877901) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID62877901
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESCCN(CC(C)C)C(=O)C(C(N)=S)c1ccccc1
InChIInChI=1S/C15H22N2OS/c1-4-17(10-11(2)3)15(18)13(14(16)19)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H2,16,19)
InChIKeyFHUOLDQFIITGSV-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
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-methyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877738
3-amino-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
3-[ethyl(2-phenylbutyl)amino]-2-methyl-3-oxopropanoic acid
CID 122066509
3-amino-N-(2-hydroxyethyl)-N-pentan-3-yl-2-phenyl-3-sulfanylidenepropanamide
CID 62878262
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
3-amino-N-butyl-N-ethyl-3-hydroxyimino-2-phenylpropanamide
CID 76975359
3-amino-N-butyl-N-cyclopropyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide (CID 62877901) is 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide is CCN(CC(C)C)C(=O)C(C(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is FHUOLDQFIITGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-17(10-11(2)3)15(18)13(14(16)19)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H2,16,19).
What are the key properties of 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 62877901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).