(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine

C14H23NO2S2 — CID 105014321

IUPAC(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)sc1C
InChIInChI=1S/C14H23NO2S2/c1-9-7-13(18-10(9)2)14(15)11-5-4-6-12(8-11)19(3,16)17/h7,11-12,14H,4-6,8,15H2,1-3H3
InChIKeyUGRJXYIZCMCYGR-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.97
Rot. Bonds3

About (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine

(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014321) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014321
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC Name(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)sc1C
InChIInChI=1S/C14H23NO2S2/c1-9-7-13(18-10(9)2)14(15)11-5-4-6-12(8-11)19(3,16)17/h7,11-12,14H,4-6,8,15H2,1-3H3
InChIKeyUGRJXYIZCMCYGR-UHFFFAOYSA-N
XLogP2.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105168772
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 102950649
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine (CID 105014321) is (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine is Cc1cc(C(N)C2CCCC(S(C)(=O)=O)C2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is UGRJXYIZCMCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-9-7-13(18-10(9)2)14(15)11-5-4-6-12(8-11)19(3,16)17/h7,11-12,14H,4-6,8,15H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine?
(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 301.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).