1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine

C10H16BrNO2S2 — CID 65095567

IUPAC1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNO2S2/c1-2-16(13,14)5-3-4-9(12)10-6-8(11)7-15-10/h6-7,9H,2-5,12H2,1H3
InChIKeyZFNQSBJHSUHXFP-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine

1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine (PubChem CID 65095567) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
PubChem CID65095567
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC Name1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(N)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNO2S2/c1-2-16(13,14)5-3-4-9(12)10-6-8(11)7-15-10/h6-7,9H,2-5,12H2,1H3
InChIKeyZFNQSBJHSUHXFP-UHFFFAOYSA-N
XLogP2.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
1-(2,5-dibromothiophen-3-yl)-4-ethylsulfonylbutan-1-amine
CID 107968351
1-(4-bromothiophen-2-yl)oct-7-en-1-amine
CID 107009134
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
1-(5-bromo-2-fluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 114894612
1-(4-bromothiophen-2-yl)-2-propoxyethanamine
CID 79575561
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
CID 116849246
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923473

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine (CID 65095567) is 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine is CCS(=O)(=O)CCCC(N)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine?
The InChIKey is ZFNQSBJHSUHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-2-16(13,14)5-3-4-9(12)10-6-8(11)7-15-10/h6-7,9H,2-5,12H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine?
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 65095567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).