(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine

C10H21NS — CID 67522586

IUPAC(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine
SMILESCSCC1C[C@@H](C(C)C)N(C)C1
InChIInChI=1S/C10H21NS/c1-8(2)10-5-9(7-12-4)6-11(10)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyXGDRKETUSTXCGP-AXDSSHIGSA-N
MW187.35 g/mol
LogP2.33
Rot. Bonds3

About (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine

(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine (PubChem CID 67522586) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine
PubChem CID67522586
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine
SMILESCSCC1C[C@@H](C(C)C)N(C)C1
InChIInChI=1S/C10H21NS/c1-8(2)10-5-9(7-12-4)6-11(10)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyXGDRKETUSTXCGP-AXDSSHIGSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine (CID 67522586) is (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine is CSCC1C[C@@H](C(C)C)N(C)C1.
What is the InChIKey of (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine?
The InChIKey is XGDRKETUSTXCGP-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)10-5-9(7-12-4)6-11(10)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine?
(2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-4-(methylsulfanylmethyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 67522586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).