(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine

C12H25NS — CID 59611331

IUPAC(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCSCC1C[C@@H](C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H25NS/c1-9(2)12-6-11(8-14-5)7-13(12)10(3)4/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1
InChIKeyGZGIQBRXBUCVAA-KIYNQFGBSA-N
MW215.41 g/mol
LogP3.10
Rot. Bonds4

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

(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59611331) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59611331
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCSCC1C[C@@H](C(C)C)N(C(C)C)C1
InChIInChI=1S/C12H25NS/c1-9(2)12-6-11(8-14-5)7-13(12)10(3)4/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1
InChIKeyGZGIQBRXBUCVAA-KIYNQFGBSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine (CID 59611331) is (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine is CSCC1C[C@@H](C(C)C)N(C(C)C)C1.
What is the InChIKey of (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is GZGIQBRXBUCVAA-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H25NS/c1-9(2)12-6-11(8-14-5)7-13(12)10(3)4/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1.
What are the key properties of (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine?
(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 215.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59611331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).