4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine

C11H23NS — CID 58778463

IUPAC4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine
SMILESCSC1CC(C(C)C)N(C(C)C)C1
InChIInChI=1S/C11H23NS/c1-8(2)11-6-10(13-5)7-12(11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyMHPMXXKASMMMAY-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine

4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 58778463) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine
PubChem CID58778463
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine
SMILESCSC1CC(C(C)C)N(C(C)C)C1
InChIInChI=1S/C11H23NS/c1-8(2)11-6-10(13-5)7-12(11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyMHPMXXKASMMMAY-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine (CID 58778463) is 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine is CSC1CC(C(C)C)N(C(C)C)C1.
What is the InChIKey of 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is MHPMXXKASMMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-8(2)11-6-10(13-5)7-12(11)9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine?
4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).