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

C9H19NOS — CID 63119208

IUPAC1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol
SMILESNCC(O)CSCC1CCCC1
InChIInChI=1S/C9H19NOS/c10-5-9(11)7-12-6-8-3-1-2-4-8/h8-9,11H,1-7,10H2
InChIKeyBZVIUYBYBMAPDD-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.23
Rot. Bonds5

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

1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol (PubChem CID 63119208) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol
PubChem CID63119208
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol
SMILESNCC(O)CSCC1CCCC1
InChIInChI=1S/C9H19NOS/c10-5-9(11)7-12-6-8-3-1-2-4-8/h8-9,11H,1-7,10H2
InChIKeyBZVIUYBYBMAPDD-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol?
The IUPAC name of 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol (CID 63119208) is 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol is NCC(O)CSCC1CCCC1.
What is the InChIKey of 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol?
The InChIKey is BZVIUYBYBMAPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c10-5-9(11)7-12-6-8-3-1-2-4-8/h8-9,11H,1-7,10H2.
What are the key properties of 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol?
1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclopentylmethylsulfanyl)propan-2-ol is sourced from PubChem (CID 63119208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).