N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

C15H22N2OS — CID 62537312

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)CC(C)C(N)=S)cc1C
InChIInChI=1S/C15H22N2OS/c1-10-5-6-13(7-11(10)2)8-14(18)17(4)9-12(3)15(16)19/h5-7,12H,8-9H2,1-4H3,(H2,16,19)
InChIKeyHBWZCFFOGKSWGS-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.23
Rot. Bonds5

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 62537312) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID62537312
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)CC(C)C(N)=S)cc1C
InChIInChI=1S/C15H22N2OS/c1-10-5-6-13(7-11(10)2)8-14(18)17(4)9-12(3)15(16)19/h5-7,12H,8-9H2,1-4H3,(H2,16,19)
InChIKeyHBWZCFFOGKSWGS-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.23
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

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 62388710
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 54992117
N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
3-[(3,4-dimethylphenyl)sulfonyl-methylamino]-2-methylpropanethioamide
CID 54991874
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 55067661
3-[[2-(4-carbamothioylphenyl)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915569
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylthiophene-3-carboxamide
CID 79802021
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 62538346
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 62537312) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)CC(C)C(N)=S)cc1C.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is HBWZCFFOGKSWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-5-6-13(7-11(10)2)8-14(18)17(4)9-12(3)15(16)19/h5-7,12H,8-9H2,1-4H3,(H2,16,19).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 278.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 62537312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).