N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide

C13H20N2OS — CID 81479553

IUPACN-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
SMILESCNCC(C)CNC(=O)CSc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(8-14-2)9-15-13(16)10-17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16)
InChIKeyLFLRXOHGSSKKGU-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.75
Rot. Bonds7

About N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide

N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide (PubChem CID 81479553) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
PubChem CID81479553
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
SMILESCNCC(C)CNC(=O)CSc1ccccc1
InChIInChI=1S/C13H20N2OS/c1-11(8-14-2)9-15-13(16)10-17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16)
InChIKeyLFLRXOHGSSKKGU-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
CID 106156966
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylsulfanylacetamide
CID 86984968
4-[[2-(3-bromophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 120537124

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide (CID 81479553) is N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide is CNCC(C)CNC(=O)CSc1ccccc1.
What is the InChIKey of N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide?
The InChIKey is LFLRXOHGSSKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(8-14-2)9-15-13(16)10-17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide?
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide has a molecular weight of 252.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 81479553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).