(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine

C8H17NS — CID 139421202

IUPAC(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@H]1CN(C)C[C@@H]1C
InChIInChI=1S/C8H17NS/c1-7-4-9(2)5-8(7)6-10-3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyNDRYMZUZIQAZQL-JGVFFNPUSA-N
MW159.30 g/mol
LogP1.55
Rot. Bonds2

About (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine

(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine (PubChem CID 139421202) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine
PubChem CID139421202
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@H]1CN(C)C[C@@H]1C
InChIInChI=1S/C8H17NS/c1-7-4-9(2)5-8(7)6-10-3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyNDRYMZUZIQAZQL-JGVFFNPUSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine (CID 139421202) is (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine is CSC[C@H]1CN(C)C[C@@H]1C.
What is the InChIKey of (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is NDRYMZUZIQAZQL-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NS/c1-7-4-9(2)5-8(7)6-10-3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine?
(3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3-dimethyl-4-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 139421202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).