3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide

C14H20N2O2S — CID 65486697

IUPAC3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)CC(N)=S
InChIInChI=1S/C14H20N2O2S/c1-10(16(2)14(17)9-13(15)19)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,19)
InChIKeyZCUHPTKIUCZCFF-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide

3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide (PubChem CID 65486697) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
PubChem CID65486697
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)CC(N)=S
InChIInChI=1S/C14H20N2O2S/c1-10(16(2)14(17)9-13(15)19)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,19)
InChIKeyZCUHPTKIUCZCFF-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide (CID 65486697) is 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide is COc1ccccc1CC(C)N(C)C(=O)CC(N)=S.
What is the InChIKey of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide?
The InChIKey is ZCUHPTKIUCZCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(16(2)14(17)9-13(15)19)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,19).
What are the key properties of 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide?
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide has a molecular weight of 280.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 65486697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).