N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide

C13H20N2OS — CID 78962685

IUPACN,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
SMILESCN(CCSc1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C13H20N2OS/c1-14(2)13(16)11-15(3)9-10-17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyNAHKGCDNUXVQBZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.80
Rot. Bonds6

About N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide

N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide (PubChem CID 78962685) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
PubChem CID78962685
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
SMILESCN(CCSc1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C13H20N2OS/c1-14(2)13(16)11-15(3)9-10-17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyNAHKGCDNUXVQBZ-UHFFFAOYSA-N
XLogP1.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
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CID 78962431
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966
4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
CID 91843825
methyl 4-[methyl(2-phenylsulfanylethyl)amino]butanoate
CID 62013452
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
CID 78993194
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
CID 79221911
but-2-enedioic acid;N-methyl-N-(2-phenylethyl)-3-phenylsulfanylpropan-1-amine
CID 70089949

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide (CID 78962685) is N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide is CN(CCSc1ccccc1)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide?
The InChIKey is NAHKGCDNUXVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14(2)13(16)11-15(3)9-10-17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide?
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide has a molecular weight of 252.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide is sourced from PubChem (CID 78962685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).