3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine

C15H19NO2S — CID 54905759

IUPAC3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
SMILESCS(=O)(=O)CCCNCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2S/c1-19(17,18)10-4-9-16-12-13-7-8-14-5-2-3-6-15(14)11-13/h2-3,5-8,11,16H,4,9-10,12H2,1H3
InChIKeyPRXRDYPTPJHHKF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.36
Rot. Bonds6

About 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine

3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine (PubChem CID 54905759) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
PubChem CID54905759
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine
SMILESCS(=O)(=O)CCCNCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NO2S/c1-19(17,18)10-4-9-16-12-13-7-8-14-5-2-3-6-15(14)11-13/h2-3,5-8,11,16H,4,9-10,12H2,1H3
InChIKeyPRXRDYPTPJHHKF-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N-[(3,4-difluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54906046
N'-(naphthalen-2-ylmethyl)pentane-1,5-diamine
CID 59231415
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905042
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 115632533
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905810
N'-(naphthalen-2-ylmethyl)-N-[2-[2-[6-(naphthalen-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
CID 10461677
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
3-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904729
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
4-[(3-methylsulfonylpropylamino)methyl]benzonitrile
CID 54906284
2,6-dibromo-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 107740696

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine (CID 54905759) is 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine is CS(=O)(=O)CCCNCc1ccc2ccccc2c1.
What is the InChIKey of 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine?
The InChIKey is PRXRDYPTPJHHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-19(17,18)10-4-9-16-12-13-7-8-14-5-2-3-6-15(14)11-13/h2-3,5-8,11,16H,4,9-10,12H2,1H3.
What are the key properties of 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine?
3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(naphthalen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 54905759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).