2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide

C12H18N2OS — CID 63035751

IUPAC2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide
SMILESCNC(CCSc1ccccc1C)C(N)=O
InChIInChI=1S/C12H18N2OS/c1-9-5-3-4-6-11(9)16-8-7-10(14-2)12(13)15/h3-6,10,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyMDSWSVKQTKQTMW-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds6

About 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide

2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide (PubChem CID 63035751) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound Name2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide
PubChem CID63035751
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide
SMILESCNC(CCSc1ccccc1C)C(N)=O
InChIInChI=1S/C12H18N2OS/c1-9-5-3-4-6-11(9)16-8-7-10(14-2)12(13)15/h3-6,10,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyMDSWSVKQTKQTMW-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
4-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63034836
2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide
CID 63034714
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 63034349
2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63696076
2,5-bis(methylamino)hexanediamide
CID 66221520
2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide
CID 63034668
1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
CID 63035550
2-(methylamino)-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63033091
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide?
The IUPAC name of 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide (CID 63035751) is 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide?
The canonical SMILES for 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide is CNC(CCSc1ccccc1C)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide?
The InChIKey is MDSWSVKQTKQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-3-4-6-11(9)16-8-7-10(14-2)12(13)15/h3-6,10,14H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide?
2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide has a molecular weight of 238.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 63035751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).