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

C13H21NO3S — CID 104789652

IUPAC(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1occc1C(N)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H21NO3S/c1-9-12(6-7-17-9)13(14)10-4-3-5-11(8-10)18(2,15)16/h6-7,10-11,13H,3-5,8,14H2,1-2H3
InChIKeyMNBDTBBWUGFSOU-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.19
Rot. Bonds3

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

(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 104789652) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID104789652
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCc1occc1C(N)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H21NO3S/c1-9-12(6-7-17-9)13(14)10-4-3-5-11(8-10)18(2,15)16/h6-7,10-11,13H,3-5,8,14H2,1-2H3
InChIKeyMNBDTBBWUGFSOU-UHFFFAOYSA-N
XLogP2.19
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine (CID 104789652) is (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine is Cc1occc1C(N)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is MNBDTBBWUGFSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9-12(6-7-17-9)13(14)10-4-3-5-11(8-10)18(2,15)16/h6-7,10-11,13H,3-5,8,14H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine?
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 271.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 104789652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).