3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol

C11H23NOS — CID 64806346

IUPAC3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CSCC1CCCC1
InChIInChI=1S/C11H23NOS/c1-2-12-11(7-13)9-14-8-10-5-3-4-6-10/h10-13H,2-9H2,1H3
InChIKeyPJEZTVALSWNRBZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds7

About 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol

3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol (PubChem CID 64806346) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol
PubChem CID64806346
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CSCC1CCCC1
InChIInChI=1S/C11H23NOS/c1-2-12-11(7-13)9-14-8-10-5-3-4-6-10/h10-13H,2-9H2,1H3
InChIKeyPJEZTVALSWNRBZ-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol (CID 64806346) is 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol is CCNC(CO)CSCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol?
The InChIKey is PJEZTVALSWNRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-12-11(7-13)9-14-8-10-5-3-4-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol?
3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64806346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).