2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol

C9H19NOS — CID 64906324

IUPAC2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol
SMILESCNC1CCC(SCCO)C1C
InChIInChI=1S/C9H19NOS/c1-7-8(10-2)3-4-9(7)12-6-5-11/h7-11H,3-6H2,1-2H3
InChIKeyUBICMLKOBLZBPT-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.10
Rot. Bonds4

About 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol

2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol (PubChem CID 64906324) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol
PubChem CID64906324
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol
SMILESCNC1CCC(SCCO)C1C
InChIInChI=1S/C9H19NOS/c1-7-8(10-2)3-4-9(7)12-6-5-11/h7-11H,3-6H2,1-2H3
InChIKeyUBICMLKOBLZBPT-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol?
The IUPAC name of 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol (CID 64906324) is 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol.
What is the SMILES notation for 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol?
The canonical SMILES for 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol is CNC1CCC(SCCO)C1C.
What is the InChIKey of 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol?
The InChIKey is UBICMLKOBLZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7-8(10-2)3-4-9(7)12-6-5-11/h7-11H,3-6H2,1-2H3.
What are the key properties of 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol?
2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol has a molecular weight of 189.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(methylamino)cyclopentyl]sulfanylethanol is sourced from PubChem (CID 64906324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).