N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide

C15H22N2OS — CID 62652001

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCCC(CC(N)=S)NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2OS/c1-4-13(9-14(16)19)17-15(18)8-12-6-5-10(2)11(3)7-12/h5-7,13H,4,8-9H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyLZYNJCHLKFRFOZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.42
Rot. Bonds6

About N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 62652001) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID62652001
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCCC(CC(N)=S)NC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2OS/c1-4-13(9-14(16)19)17-15(18)8-12-6-5-10(2)11(3)7-12/h5-7,13H,4,8-9H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyLZYNJCHLKFRFOZ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889
N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 65190967
N-(4-amino-4-sulfanylidenebutyl)-2-(3,4-dimethylphenyl)acetamide
CID 62667726
2-(3,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 132760177
methyl (2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoate
CID 18157841
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489863
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804
4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 60657023
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide
CID 62652163
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide (CID 62652001) is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide is CCC(CC(N)=S)NC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is LZYNJCHLKFRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-13(9-14(16)19)17-15(18)8-12-6-5-10(2)11(3)7-12/h5-7,13H,4,8-9H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 62652001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).