2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol

C11H23NOS — CID 66104792

IUPAC2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol
SMILESCNC1CCC(SCC(C)CO)C1C
InChIInChI=1S/C11H23NOS/c1-8(6-13)7-14-11-5-4-10(12-3)9(11)2/h8-13H,4-7H2,1-3H3
InChIKeySOPWJVCBYKDRMN-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.73
Rot. Bonds5

About 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol

2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol (PubChem CID 66104792) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol
PubChem CID66104792
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol
SMILESCNC1CCC(SCC(C)CO)C1C
InChIInChI=1S/C11H23NOS/c1-8(6-13)7-14-11-5-4-10(12-3)9(11)2/h8-13H,4-7H2,1-3H3
InChIKeySOPWJVCBYKDRMN-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol (CID 66104792) is 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol is CNC1CCC(SCC(C)CO)C1C.
What is the InChIKey of 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol?
The InChIKey is SOPWJVCBYKDRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8(6-13)7-14-11-5-4-10(12-3)9(11)2/h8-13H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol?
2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methyl-3-(methylamino)cyclopentyl]sulfanylpropan-1-ol is sourced from PubChem (CID 66104792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).