N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide

C15H22N2OS — CID 62366573

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(C)(NC(=O)CCc1cccc(C)c1)C(N)=S
InChIInChI=1S/C15H22N2OS/c1-4-15(3,14(16)19)17-13(18)9-8-12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyQNOHPRAKKMCYLM-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.50
Rot. Bonds6

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide (PubChem CID 62366573) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide
PubChem CID62366573
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(C)(NC(=O)CCc1cccc(C)c1)C(N)=S
InChIInChI=1S/C15H22N2OS/c1-4-15(3,14(16)19)17-13(18)9-8-12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyQNOHPRAKKMCYLM-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.50
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

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-phenylpropanamide
CID 61121154
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-phenylbutanamide
CID 61120224
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide
CID 76941527
N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
CID 62521751
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-(3-methylphenyl)propanamide
CID 107867835
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide (CID 62366573) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide is CCC(C)(NC(=O)CCc1cccc(C)c1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is QNOHPRAKKMCYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-15(3,14(16)19)17-13(18)9-8-12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62366573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).