N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide

C12H18N2OS — CID 66346847

IUPACN-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide
SMILESCNCc1cccc(SC(C)C(=O)NC)c1
InChIInChI=1S/C12H18N2OS/c1-9(12(15)14-3)16-11-6-4-5-10(7-11)8-13-2/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyVPMVLVXGASKWTL-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.63
Rot. Bonds5

About N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide

N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide (PubChem CID 66346847) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide
PubChem CID66346847
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide
SMILESCNCc1cccc(SC(C)C(=O)NC)c1
InChIInChI=1S/C12H18N2OS/c1-9(12(15)14-3)16-11-6-4-5-10(7-11)8-13-2/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyVPMVLVXGASKWTL-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(3-methylbutyl)propanamide
CID 66347435
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 66346878
N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66349004
N-butan-2-yl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66348555
2-[3-(propylaminomethyl)phenyl]sulfanylpropanamide
CID 66348073
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
ethyl 2-[3-[(2-methylpropylamino)methyl]phenyl]sulfanylpropanoate
CID 66347161
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66356220
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide (CID 66346847) is N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide is CNCc1cccc(SC(C)C(=O)NC)c1.
What is the InChIKey of N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide?
The InChIKey is VPMVLVXGASKWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(12(15)14-3)16-11-6-4-5-10(7-11)8-13-2/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide?
N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide has a molecular weight of 238.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylaminomethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 66346847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).