4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol

C14H29NOS — CID 64806975

IUPAC4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)SC1CCCC1
InChIInChI=1S/C14H29NOS/c1-4-9-15-14(3,11-16)10-12(2)17-13-7-5-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyBKWSEVKKOSYHTE-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.19
Rot. Bonds8

About 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol

4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64806975) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64806975
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)SC1CCCC1
InChIInChI=1S/C14H29NOS/c1-4-9-15-14(3,11-16)10-12(2)17-13-7-5-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyBKWSEVKKOSYHTE-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 107764599
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821262
4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64808104
2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241
2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
CID 64827999
4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
CID 64815274
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64820388
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569
4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol (CID 64806975) is 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)SC1CCCC1.
What is the InChIKey of 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is BKWSEVKKOSYHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-9-15-14(3,11-16)10-12(2)17-13-7-5-6-8-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64806975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).