(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine

C13H20BrNO2S2 — CID 105014349

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)sc1Br
InChIInChI=1S/C13H20BrNO2S2/c1-8-6-11(18-13(8)14)12(15)9-4-3-5-10(7-9)19(2,16)17/h6,9-10,12H,3-5,7,15H2,1-2H3
InChIKeyDHOMLJVGSUBNNJ-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.42
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014349) has the molecular formula C13H20BrNO2S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014349
Molecular FormulaC13H20BrNO2S2
Molecular Weight366.35 g/mol
Exact Mass365.01
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)sc1Br
InChIInChI=1S/C13H20BrNO2S2/c1-8-6-11(18-13(8)14)12(15)9-4-3-5-10(7-9)19(2,16)17/h6,9-10,12H,3-5,7,15H2,1-2H3
InChIKeyDHOMLJVGSUBNNJ-UHFFFAOYSA-N
XLogP3.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014321
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278
(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105168772
(4-bromo-2-methoxyphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014385

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine (CID 105014349) is (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine is Cc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is DHOMLJVGSUBNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S2/c1-8-6-11(18-13(8)14)12(15)9-4-3-5-10(7-9)19(2,16)17/h6,9-10,12H,3-5,7,15H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 366.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).