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

C16H20BrNO2S — CID 104986238

IUPAC1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO2S/c1-2-21(19,20)9-3-4-16(18)14-6-5-13-11-15(17)8-7-12(13)10-14/h5-8,10-11,16H,2-4,9,18H2,1H3
InChIKeyNBRUSLMXQUFXII-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.82
Rot. Bonds6

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

1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine (PubChem CID 104986238) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
PubChem CID104986238
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO2S/c1-2-21(19,20)9-3-4-16(18)14-6-5-13-11-15(17)8-7-12(13)10-14/h5-8,10-11,16H,2-4,9,18H2,1H3
InChIKeyNBRUSLMXQUFXII-UHFFFAOYSA-N
XLogP3.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-amine
CID 115821025
1-(6-bromonaphthalen-2-yl)-4-methoxybutan-1-amine
CID 105055131
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
1-(5-bromo-2-fluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 114894612
1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
CID 65095643
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
CID 115865315
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-(4-bromo-3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 115821022
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine (CID 104986238) is 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine is CCS(=O)(=O)CCCC(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine?
The InChIKey is NBRUSLMXQUFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2S/c1-2-21(19,20)9-3-4-16(18)14-6-5-13-11-15(17)8-7-12(13)10-14/h5-8,10-11,16H,2-4,9,18H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine?
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine has a molecular weight of 370.31 g/mol, XLogP of 3.82, 6 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-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 104986238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).