3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine

C14H17NO2S — CID 62716916

IUPAC3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO2S/c1-18(16,17)9-8-14(15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9,15H2,1H3
InChIKeyYPPDUVHMRBYPIA-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.27
Rot. Bonds4

About 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine

3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine (PubChem CID 62716916) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
PubChem CID62716916
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H17NO2S/c1-18(16,17)9-8-14(15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9,15H2,1H3
InChIKeyYPPDUVHMRBYPIA-UHFFFAOYSA-N
XLogP2.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
CID 115821025
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-amino-2-naphthalen-2-ylethanesulfonic acid;ethane
CID 142982277
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-amine
CID 115848231
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
CID 63192640
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine (CID 62716916) is 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine is CS(=O)(=O)CCC(N)c1ccc2ccccc2c1.
What is the InChIKey of 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine?
The InChIKey is YPPDUVHMRBYPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-18(16,17)9-8-14(15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9,15H2,1H3.
What are the key properties of 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine?
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine is sourced from PubChem (CID 62716916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).