(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride

C6H14ClNOS — CID 11389779

IUPAC(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCSC[C@H]1CNC[C@@H]1O.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-9-4-5-2-7-3-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyOVDUFOVVMAEXQC-IBTYICNHSA-N
MW183.70 g/mol
LogP0.35
Rot. Bonds2

About (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride

(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 11389779) has the molecular formula C6H14ClNOS and a molecular weight of 183.70 g/mol. Its IUPAC name is (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID11389779
Molecular FormulaC6H14ClNOS
Molecular Weight183.70 g/mol
Exact Mass183.05
IUPAC Name(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride
SMILESCSC[C@H]1CNC[C@@H]1O.Cl
InChIInChI=1S/C6H13NOS.ClH/c1-9-4-5-2-7-3-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyOVDUFOVVMAEXQC-IBTYICNHSA-N
XLogP0.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.70
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride (CID 11389779) is (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride is CSC[C@H]1CNC[C@@H]1O.Cl.
What is the InChIKey of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is OVDUFOVVMAEXQC-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NOS.ClH/c1-9-4-5-2-7-3-6(5)8;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride?
(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 183.70 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 11389779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).