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

C11H23NOS — CID 64906138

IUPAC2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol
SMILESCCCNC1CCC(SCCO)C1C
InChIInChI=1S/C11H23NOS/c1-3-6-12-10-4-5-11(9(10)2)14-8-7-13/h9-13H,3-8H2,1-2H3
InChIKeyISCLMVGCWROVPR-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds6

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

2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol (PubChem CID 64906138) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol
PubChem CID64906138
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol
SMILESCCCNC1CCC(SCCO)C1C
InChIInChI=1S/C11H23NOS/c1-3-6-12-10-4-5-11(9(10)2)14-8-7-13/h9-13H,3-8H2,1-2H3
InChIKeyISCLMVGCWROVPR-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.88
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-(propylamino)cyclopentyl]sulfanylethanol?
The IUPAC name of 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol (CID 64906138) is 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol.
What is the SMILES notation for 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol?
The canonical SMILES for 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol is CCCNC1CCC(SCCO)C1C.
What is the InChIKey of 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol?
The InChIKey is ISCLMVGCWROVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-6-12-10-4-5-11(9(10)2)14-8-7-13/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol?
2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(propylamino)cyclopentyl]sulfanylethanol is sourced from PubChem (CID 64906138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).