N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide

C13H19NOS — CID 97223884

IUPACN,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide
SMILESCC[C@@H](SCC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-12(11-8-6-5-7-9-11)16-10-13(15)14(2)3/h5-9,12H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyLZVIBCDSUFZTRP-GFCCVEGCSA-N
MW237.37 g/mol
LogP2.96
Rot. Bonds5

About N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide

N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide (PubChem CID 97223884) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide
PubChem CID97223884
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide
SMILESCC[C@@H](SCC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-4-12(11-8-6-5-7-9-11)16-10-13(15)14(2)3/h5-9,12H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyLZVIBCDSUFZTRP-GFCCVEGCSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
1-(1-phenylpropylsulfanylmethyl)pyrrole-2,5-diol
CID 54429765
N,N-diethyl-2-(2-nitro-1-phenylethyl)sulfanylacetamide
CID 70036248
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111
[(1R)-1-methylsulfanylpropyl]benzene
CID 89360897
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238276
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide (CID 97223884) is N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide is CC[C@@H](SCC(=O)N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide?
The InChIKey is LZVIBCDSUFZTRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-12(11-8-6-5-7-9-11)16-10-13(15)14(2)3/h5-9,12H,4,10H2,1-3H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide?
N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide has a molecular weight of 237.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide is sourced from PubChem (CID 97223884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).