2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine

C11H17NOS — CID 107784188

IUPAC2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
SMILESCc1occc1SC1CCC(N)C1C
InChIInChI=1S/C11H17NOS/c1-7-9(12)3-4-10(7)14-11-5-6-13-8(11)2/h5-7,9-10H,3-4,12H2,1-2H3
InChIKeyKXKAVADDIIXUSR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.81
Rot. Bonds2

About 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine

2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine (PubChem CID 107784188) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
PubChem CID107784188
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
SMILESCc1occc1SC1CCC(N)C1C
InChIInChI=1S/C11H17NOS/c1-7-9(12)3-4-10(7)14-11-5-6-13-8(11)2/h5-7,9-10H,3-4,12H2,1-2H3
InChIKeyKXKAVADDIIXUSR-UHFFFAOYSA-N
XLogP2.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
The IUPAC name of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine (CID 107784188) is 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine is Cc1occc1SC1CCC(N)C1C.
What is the InChIKey of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
The InChIKey is KXKAVADDIIXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7-9(12)3-4-10(7)14-11-5-6-13-8(11)2/h5-7,9-10H,3-4,12H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine?
2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 107784188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).