(2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine

C7H15NS — CID 102423288

IUPAC(2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@H]1CC[C@H](C)N1
InChIInChI=1S/C7H15NS/c1-6-3-4-7(8-6)5-9-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyDWPMXXCDVMYYPU-NKWVEPMBSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds2

About (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine

(2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine (PubChem CID 102423288) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine
PubChem CID102423288
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@H]1CC[C@H](C)N1
InChIInChI=1S/C7H15NS/c1-6-3-4-7(8-6)5-9-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyDWPMXXCDVMYYPU-NKWVEPMBSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine (CID 102423288) is (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine is CSC[C@H]1CC[C@H](C)N1.
What is the InChIKey of (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is DWPMXXCDVMYYPU-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-3-4-7(8-6)5-9-2/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine?
(2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-methyl-5-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 102423288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).