N-(2-methylsulfonylpropyl)aniline

C10H15NO2S — CID 104519124

IUPACN-(2-methylsulfonylpropyl)aniline
SMILESCC(CNc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-9(14(2,12)13)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyWKWGUDIPWVAURG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.53
Rot. Bonds4

About N-(2-methylsulfonylpropyl)aniline

N-(2-methylsulfonylpropyl)aniline (PubChem CID 104519124) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(2-methylsulfonylpropyl)aniline.

Molecular Properties

Compound NameN-(2-methylsulfonylpropyl)aniline
PubChem CID104519124
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-(2-methylsulfonylpropyl)aniline
SMILESCC(CNc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-9(14(2,12)13)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyWKWGUDIPWVAURG-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pentylsulfonylpropyl)aniline
CID 107757153
3-anilino-2-methylpropane-1-sulfonic acid
CID 23361599
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
N-(2-bromopropyl)aniline
CID 13183607
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
1-anilino-4-methylsulfonylpentan-3-one
CID 67960572
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
N-(2-methylsulfanylpropyl)aniline
CID 62582287
1-amino-2-anilinoethanol
CID 54286676
N-(2-propoxypropyl)aniline
CID 62585259
2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
CID 62569514
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylpropyl)aniline?
The IUPAC name of N-(2-methylsulfonylpropyl)aniline (CID 104519124) is N-(2-methylsulfonylpropyl)aniline.
What is the SMILES notation for N-(2-methylsulfonylpropyl)aniline?
The canonical SMILES for N-(2-methylsulfonylpropyl)aniline is CC(CNc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylpropyl)aniline?
The InChIKey is WKWGUDIPWVAURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-9(14(2,12)13)8-11-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of N-(2-methylsulfonylpropyl)aniline?
N-(2-methylsulfonylpropyl)aniline has a molecular weight of 213.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylpropyl)aniline is sourced from PubChem (CID 104519124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).