4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol

C11H23NOS — CID 64807798

IUPAC4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCSCC1CCCC1
InChIInChI=1S/C11H23NOS/c1-12-11(8-13)6-7-14-9-10-4-2-3-5-10/h10-13H,2-9H2,1H3
InChIKeyPZFMRQBHONCKQO-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.88
Rot. Bonds7

About 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol

4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol (PubChem CID 64807798) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol
PubChem CID64807798
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCSCC1CCCC1
InChIInChI=1S/C11H23NOS/c1-12-11(8-13)6-7-14-9-10-4-2-3-5-10/h10-13H,2-9H2,1H3
InChIKeyPZFMRQBHONCKQO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol (CID 64807798) is 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol is CNC(CO)CCSCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol?
The InChIKey is PZFMRQBHONCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-12-11(8-13)6-7-14-9-10-4-2-3-5-10/h10-13H,2-9H2,1H3.
What are the key properties of 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol?
4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-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 4-(cyclopentylmethylsulfanyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64807798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).