(1-methyl-4-sulfanylpyrrolidin-2-yl)methanol

C6H13NOS — CID 19907170

IUPAC(1-methyl-4-sulfanylpyrrolidin-2-yl)methanol
SMILESCN1CC(S)CC1CO
InChIInChI=1S/C6H13NOS/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3
InChIKeyJBKPYWJFAISKIM-UHFFFAOYSA-N
MW147.24 g/mol
LogP-0.02
Rot. Bonds1

About (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol

(1-methyl-4-sulfanylpyrrolidin-2-yl)methanol (PubChem CID 19907170) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4-sulfanylpyrrolidin-2-yl)methanol
PubChem CID19907170
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(1-methyl-4-sulfanylpyrrolidin-2-yl)methanol
SMILESCN1CC(S)CC1CO
InChIInChI=1S/C6H13NOS/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3
InChIKeyJBKPYWJFAISKIM-UHFFFAOYSA-N
XLogP-0.02
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol (CID 19907170) is (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol is CN1CC(S)CC1CO.
What is the InChIKey of (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol?
The InChIKey is JBKPYWJFAISKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3.
What are the key properties of (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol?
(1-methyl-4-sulfanylpyrrolidin-2-yl)methanol has a molecular weight of 147.24 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-sulfanylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 19907170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).