N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide

C13H20N2OS — CID 114232153

IUPACN-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(NC)c1cccc(C)c1
InChIInChI=1S/C13H20N2OS/c1-10-5-4-6-11(7-10)12(14-2)8-17-9-13(16)15-3/h4-7,12,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyBDOIAQQVEVNTCT-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.73
Rot. Bonds6

About N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide

N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide (PubChem CID 114232153) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide
PubChem CID114232153
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(NC)c1cccc(C)c1
InChIInChI=1S/C13H20N2OS/c1-10-5-4-6-11(7-10)12(14-2)8-17-9-13(16)15-3/h4-7,12,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyBDOIAQQVEVNTCT-UHFFFAOYSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083
methyl 2-[1-[[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778544
N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
CID 114234945
2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide
CID 114234994
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
methyl 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
2-methyl-3-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107784536
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
3-(butanoylamino)-3-(3-methylphenyl)propanoic acid
CID 112508722
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
CID 177471445
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide (CID 114232153) is N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide is CNC(=O)CSCC(NC)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide?
The InChIKey is BDOIAQQVEVNTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-5-4-6-11(7-10)12(14-2)8-17-9-13(16)15-3/h4-7,12,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide?
N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide is sourced from PubChem (CID 114232153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).