N-(2-methylsulfanylpropyl)aniline

C10H15NS — CID 62582287

IUPACN-(2-methylsulfanylpropyl)aniline
SMILESCSC(C)CNc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(12-2)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRFVJKOXNRMCJNM-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.85
Rot. Bonds4

About N-(2-methylsulfanylpropyl)aniline

N-(2-methylsulfanylpropyl)aniline (PubChem CID 62582287) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)aniline.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)aniline
PubChem CID62582287
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-(2-methylsulfanylpropyl)aniline
SMILESCSC(C)CNc1ccccc1
InChIInChI=1S/C10H15NS/c1-9(12-2)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRFVJKOXNRMCJNM-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromopropyl)aniline
CID 13183607
N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596
N-(2-methylsulfanylpropyl)-4-nitroaniline
CID 115899131
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
CID 62580992
N-(2-thiophen-2-ylsulfanylpropyl)aniline
CID 62578377
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
N-[(2R)-2-(methylsulfanylmethyl)butyl]aniline
CID 100920930
4-(2-phenylsulfanylpropylamino)benzonitrile
CID 133324626
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
N-(2,3,5-trimethylhexyl)aniline
CID 167250577
N-(2-methylsulfonylpropyl)aniline
CID 104519124

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpropyl)aniline?
The IUPAC name of N-(2-methylsulfanylpropyl)aniline (CID 62582287) is N-(2-methylsulfanylpropyl)aniline.
What is the SMILES notation for N-(2-methylsulfanylpropyl)aniline?
The canonical SMILES for N-(2-methylsulfanylpropyl)aniline is CSC(C)CNc1ccccc1.
What is the InChIKey of N-(2-methylsulfanylpropyl)aniline?
The InChIKey is RFVJKOXNRMCJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(12-2)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of N-(2-methylsulfanylpropyl)aniline?
N-(2-methylsulfanylpropyl)aniline has a molecular weight of 181.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)aniline is sourced from PubChem (CID 62582287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).