3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol

C12H25NOS — CID 66136887

IUPAC3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
SMILESCCCNC1CCCC1SC(C)CCO
InChIInChI=1S/C12H25NOS/c1-3-8-13-11-5-4-6-12(11)15-10(2)7-9-14/h10-14H,3-9H2,1-2H3
InChIKeyQZEJCJJBZJZWAY-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.41
Rot. Bonds7

About 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol

3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol (PubChem CID 66136887) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
PubChem CID66136887
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol
SMILESCCCNC1CCCC1SC(C)CCO
InChIInChI=1S/C12H25NOS/c1-3-8-13-11-5-4-6-12(11)15-10(2)7-9-14/h10-14H,3-9H2,1-2H3
InChIKeyQZEJCJJBZJZWAY-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(ethylamino)cyclooctyl]sulfanylbutan-1-ol
CID 66139118
3-[5-ethyl-2-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66135997
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
CID 66136218
3-[[8-(propylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-1-ol
CID 66137561
3-[3-(propylamino)cyclohexyl]sulfanylbutan-1-ol
CID 66137117
trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
CID 102735775
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
3-(2-aminocyclooctyl)sulfanylbutan-1-ol
CID 66138218
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-butan-2-ylsulfanyl-N-ethylcyclooctan-1-amine
CID 64613411
2-(2-methylbutylsulfanyl)-N-propylcycloheptan-1-amine
CID 107763648
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243

Frequently Asked Questions

What is the IUPAC name of 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol (CID 66136887) is 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol is CCCNC1CCCC1SC(C)CCO.
What is the InChIKey of 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol?
The InChIKey is QZEJCJJBZJZWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-8-13-11-5-4-6-12(11)15-10(2)7-9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol?
3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propylamino)cyclopentyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66136887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).