3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol

C11H23NO2S — CID 79671709

IUPAC3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
SMILESCCCNC1CCC(SCC(O)CO)C1
InChIInChI=1S/C11H23NO2S/c1-2-5-12-9-3-4-11(6-9)15-8-10(14)7-13/h9-14H,2-8H2,1H3
InChIKeyFCZPOEFLYYTVRN-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.99
Rot. Bonds7

About 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol

3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol (PubChem CID 79671709) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
PubChem CID79671709
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol
SMILESCCCNC1CCC(SCC(O)CO)C1
InChIInChI=1S/C11H23NO2S/c1-2-5-12-9-3-4-11(6-9)15-8-10(14)7-13/h9-14H,2-8H2,1H3
InChIKeyFCZPOEFLYYTVRN-UHFFFAOYSA-N
XLogP0.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[3-(propylamino)cyclohexyl]sulfanylpropan-1-ol
CID 66104134
3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine
CID 64722459
3-ethylsulfanyl-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 102672441
3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719
3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117
3-[3-(ethylamino)cyclopentyl]sulfanylpropan-1-ol
CID 66128791
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
CID 69425142
3-ethylsulfanyl-N-(2-methylpentyl)cyclopentan-1-amine
CID 115907891
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol (CID 79671709) is 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol is CCCNC1CCC(SCC(O)CO)C1.
What is the InChIKey of 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol?
The InChIKey is FCZPOEFLYYTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-5-12-9-3-4-11(6-9)15-8-10(14)7-13/h9-14H,2-8H2,1H3.
What are the key properties of 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol?
3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol has a molecular weight of 233.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylamino)cyclopentyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 79671709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).