[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol

C6H13NOS — CID 134460596

IUPAC[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol
SMILESCSN1CC[C@@H](CO)C1
InChIInChI=1S/C6H13NOS/c1-9-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyAZLQNRQSWBVAMW-ZCFIWIBFSA-N
MW147.24 g/mol
LogP0.58
Rot. Bonds2

About [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol

[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol (PubChem CID 134460596) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol
PubChem CID134460596
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol
SMILESCSN1CC[C@@H](CO)C1
InChIInChI=1S/C6H13NOS/c1-9-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyAZLQNRQSWBVAMW-ZCFIWIBFSA-N
XLogP0.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
(3R)-N,N-dimethyl-1-methylsulfanylpyrrolidin-3-amine
CID 129226195
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
methyl N-cyano-3-(hydroxymethyl)pyrrolidine-1-carboximidothioate
CID 103942740
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
3-(hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 62372559
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol
CID 123606610
[1-(2,4,6-trimethylphenyl)sulfanylpiperidin-4-yl]methanol
CID 146666700
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium
CID 137003763

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol (CID 134460596) is [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol is CSN1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol?
The InChIKey is AZLQNRQSWBVAMW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol?
[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol has a molecular weight of 147.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 134460596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).