3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol

C15H31NOS — CID 66103015

IUPAC3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
SMILESCCCNC1CCC(CC)CC1SCC(C)CO
InChIInChI=1S/C15H31NOS/c1-4-8-16-14-7-6-13(5-2)9-15(14)18-11-12(3)10-17/h12-17H,4-11H2,1-3H3
InChIKeyHGDNTIFOPAXYSA-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.29
Rot. Bonds8

About 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol

3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66103015) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
PubChem CID66103015
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
SMILESCCCNC1CCC(CC)CC1SCC(C)CO
InChIInChI=1S/C15H31NOS/c1-4-8-16-14-7-6-13(5-2)9-15(14)18-11-12(3)10-17/h12-17H,4-11H2,1-3H3
InChIKeyHGDNTIFOPAXYSA-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol (CID 66103015) is 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol is CCCNC1CCC(CC)CC1SCC(C)CO.
What is the InChIKey of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is HGDNTIFOPAXYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-4-8-16-14-7-6-13(5-2)9-15(14)18-11-12(3)10-17/h12-17H,4-11H2,1-3H3.
What are the key properties of 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol?
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 273.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66103015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).