1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine

C9H14BrNO2S2 — CID 105010694

IUPAC1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(C(N)c1cscc1Br)S(C)(=O)=O
InChIInChI=1S/C9H14BrNO2S2/c1-9(2,15(3,12)13)8(11)6-4-14-5-7(6)10/h4-5,8H,11H2,1-3H3
InChIKeyZNLNORONPJGCEA-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.33
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine

1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105010694) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105010694
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC Name1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(C(N)c1cscc1Br)S(C)(=O)=O
InChIInChI=1S/C9H14BrNO2S2/c1-9(2,15(3,12)13)8(11)6-4-14-5-7(6)10/h4-5,8H,11H2,1-3H3
InChIKeyZNLNORONPJGCEA-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 80532967
1-(4-bromothiophen-3-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79602252
1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861480
1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
CID 79596578
1-(2,3-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115850415
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991379
1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79594978
1-(4-bromothiophen-3-yl)pentan-1-amine
CID 79016546
1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105032850
(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105166663
1-(4-bromothiophen-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 79602663
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 105010694) is 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(C(N)c1cscc1Br)S(C)(=O)=O.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is ZNLNORONPJGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-9(2,15(3,12)13)8(11)6-4-14-5-7(6)10/h4-5,8H,11H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine?
1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105010694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).