3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide

C10H12N2OS — CID 28942333

IUPAC3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
SMILESCN(C(=O)CC(N)=S)c1ccccc1
InChIInChI=1S/C10H12N2OS/c1-12(10(13)7-9(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,14)
InChIKeySFZGINVMOZGKHU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide

3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide (PubChem CID 28942333) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
PubChem CID28942333
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
SMILESCN(C(=O)CC(N)=S)c1ccccc1
InChIInChI=1S/C10H12N2OS/c1-12(10(13)7-9(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,14)
InChIKeySFZGINVMOZGKHU-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.33
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

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CID 134872382
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3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 51224881
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
[2-(N-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059925
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953174
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide (CID 28942333) is 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide is CN(C(=O)CC(N)=S)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide?
The InChIKey is SFZGINVMOZGKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-12(10(13)7-9(11)14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,14).
What are the key properties of 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide?
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide has a molecular weight of 208.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 28942333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).