(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine

C13H21NO2S2 — CID 105014295

IUPAC(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H21NO2S2/c1-9-6-7-17-13(9)12(14)10-4-3-5-11(8-10)18(2,15)16/h6-7,10-12H,3-5,8,14H2,1-2H3
InChIKeyCERBHNCNTPYJKQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.66
Rot. Bonds3

About (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine

(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 105014295) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID105014295
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC Name(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H21NO2S2/c1-9-6-7-17-13(9)12(14)10-4-3-5-11(8-10)18(2,15)16/h6-7,10-12H,3-5,8,14H2,1-2H3
InChIKeyCERBHNCNTPYJKQ-UHFFFAOYSA-N
XLogP2.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.66
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)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105168772
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014355
(4-bromo-2-methoxyphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014385
(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107190081

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine (CID 105014295) is (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is CERBHNCNTPYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-9-6-7-17-13(9)12(14)10-4-3-5-11(8-10)18(2,15)16/h6-7,10-12H,3-5,8,14H2,1-2H3.
What are the key properties of (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine?
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105014295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).