1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine

C15H18BrNO2S — CID 115821025

IUPAC1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO2S/c1-20(18,19)8-2-3-15(17)13-5-4-12-10-14(16)7-6-11(12)9-13/h4-7,9-10,15H,2-3,8,17H2,1H3
InChIKeyJMSRGLTYQPKSHS-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.43
Rot. Bonds5

About 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine

1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine (PubChem CID 115821025) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
PubChem CID115821025
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO2S/c1-20(18,19)8-2-3-15(17)13-5-4-12-10-14(16)7-6-11(12)9-13/h4-7,9-10,15H,2-3,8,17H2,1H3
InChIKeyJMSRGLTYQPKSHS-UHFFFAOYSA-N
XLogP3.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-(4-bromo-3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 115821022
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820284
1-(3-bromo-5-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 107945285
1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylsulfonylbutan-1-amine
CID 115820724
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-amine
CID 115848231
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965038

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine (CID 115821025) is 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine is CS(=O)(=O)CCCC(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine?
The InChIKey is JMSRGLTYQPKSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-20(18,19)8-2-3-15(17)13-5-4-12-10-14(16)7-6-11(12)9-13/h4-7,9-10,15H,2-3,8,17H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine?
1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine has a molecular weight of 356.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 115821025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).