4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol

C8H15NOS — CID 126749558

IUPAC4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol
SMILESOC1CNCC1CSC1CC1
InChIInChI=1S/C8H15NOS/c10-8-4-9-3-6(8)5-11-7-1-2-7/h6-10H,1-5H2
InChIKeyQYBBPVXAZMJFJN-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.46
Rot. Bonds3

About 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol

4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol (PubChem CID 126749558) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol
PubChem CID126749558
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol
SMILESOC1CNCC1CSC1CC1
InChIInChI=1S/C8H15NOS/c10-8-4-9-3-6(8)5-11-7-1-2-7/h6-10H,1-5H2
InChIKeyQYBBPVXAZMJFJN-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol?
The IUPAC name of 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol (CID 126749558) is 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol is OC1CNCC1CSC1CC1.
What is the InChIKey of 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol?
The InChIKey is QYBBPVXAZMJFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c10-8-4-9-3-6(8)5-11-7-1-2-7/h6-10H,1-5H2.
What are the key properties of 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol?
4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol has a molecular weight of 173.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfanylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 126749558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).