N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide

C16H20N2OS — CID 120831568

IUPACN-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCNC(C)CNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H20N2OS/c1-12(17-2)10-18-16(19)11-20-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyTYLUSKAMVSWUAX-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide

N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 120831568) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID120831568
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCNC(C)CNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C16H20N2OS/c1-12(17-2)10-18-16(19)11-20-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyTYLUSKAMVSWUAX-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
CID 120833140
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
5-[(2-naphthalen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 119235112
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
N-[2-(methylamino)propyl]-2-phenacylsulfanylacetamide
CID 120832661
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
N-methyl-6-naphthalen-2-ylsulfanylhexan-2-amine
CID 64648285
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 8005581
N-[2-(4-chlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 2098696

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide (CID 120831568) is N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide is CNC(C)CNC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is TYLUSKAMVSWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(17-2)10-18-16(19)11-20-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 288.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 120831568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).