[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol

C14H29NOS — CID 107764868

IUPAC[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(SCCC(C)C)C1
InChIInChI=1S/C14H29NOS/c1-4-8-15-14(11-16)7-5-13(10-14)17-9-6-12(2)3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyFXUNWKQUNPJOHL-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.05
Rot. Bonds8

About [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol

[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 107764868) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
PubChem CID107764868
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(SCCC(C)C)C1
InChIInChI=1S/C14H29NOS/c1-4-8-15-14(11-16)7-5-13(10-14)17-9-6-12(2)3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyFXUNWKQUNPJOHL-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
[1-(cyclopropylamino)-3-(3-methylbutylsulfanyl)cyclohexyl]methanol
CID 107764890
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
ethyl 3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 107756248
[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656145
1-(methylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylic acid
CID 107756199
[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol
CID 107764670
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
CID 107756300
[3-[1-methoxypropan-2-yl(methyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655810
[1-(ethylamino)-3-methylsulfanylcyclopentyl]methanol
CID 79646857

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol (CID 107764868) is [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(SCCC(C)C)C1.
What is the InChIKey of [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is FXUNWKQUNPJOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-8-15-14(11-16)7-5-13(10-14)17-9-6-12(2)3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol?
[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 259.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 107764868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).