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

C6H13NOS — CID 11389780

IUPAC(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol
SMILESCSC[C@H]1CNC[C@@H]1O
InChIInChI=1S/C6H13NOS/c1-9-4-5-2-7-3-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyISXICUZGXJZCEJ-RITPCOANSA-N
MW147.24 g/mol
LogP-0.07
Rot. Bonds2

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

(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol (PubChem CID 11389780) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol
PubChem CID11389780
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol
SMILESCSC[C@H]1CNC[C@@H]1O
InChIInChI=1S/C6H13NOS/c1-9-4-5-2-7-3-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyISXICUZGXJZCEJ-RITPCOANSA-N
XLogP-0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 5-0.07
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?
The IUPAC name of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol (CID 11389780) is (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol is CSC[C@H]1CNC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol?
The InChIKey is ISXICUZGXJZCEJ-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NOS/c1-9-4-5-2-7-3-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol?
(3R,4S)-4-(methylsulfanylmethyl)pyrrolidin-3-ol has a molecular weight of 147.24 g/mol, XLogP of -0.07, 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 is sourced from PubChem (CID 11389780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).