1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine

C10H16BrNO2S2 — CID 115601848

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)CS(C)(=O)=O
InChIInChI=1S/C10H16BrNO2S2/c1-3-12-8(7-16(2,13)14)6-9-4-5-10(11)15-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyZWEKLYXKSVPQSE-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.08
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine

1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine (PubChem CID 115601848) has the molecular formula C10H16BrNO2S2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
PubChem CID115601848
Molecular FormulaC10H16BrNO2S2
Molecular Weight326.28 g/mol
Exact Mass324.98
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine
SMILESCCNC(Cc1ccc(Br)s1)CS(C)(=O)=O
InChIInChI=1S/C10H16BrNO2S2/c1-3-12-8(7-16(2,13)14)6-9-4-5-10(11)15-9/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyZWEKLYXKSVPQSE-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]methanesulfonamide
CID 28732262
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]methanesulfonamide;hydrochloride
CID 47023782
2-bromo-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65773968
2-bromo-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65799378
1-(5-bromothiophen-2-yl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66051177
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66051330
1-(4-bromothiophen-2-yl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052519
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66065517
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66071195
1-(5-bromothiophen-2-yl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071671

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine (CID 115601848) is 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine is CCNC(Cc1ccc(Br)s1)CS(C)(=O)=O.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine?
The InChIKey is ZWEKLYXKSVPQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2S2/c1-3-12-8(7-16(2,13)14)6-9-4-5-10(11)15-9/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine?
1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-ethyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 115601848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).