(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine

C8H15NS2 — CID 643425

IUPAC(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
SMILESC1CN[C@H](CC2SCCS2)C1
InChIInChI=1S/C8H15NS2/c1-2-7(9-3-1)6-8-10-4-5-11-8/h7-9H,1-6H2/t7-/m0/s1
InChIKeyPNEDJSSEZZRMJY-ZETCQYMHSA-N
MW189.35 g/mol
LogP1.93
Rot. Bonds2

About (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine

(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine (PubChem CID 643425) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
PubChem CID643425
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
SMILESC1CN[C@H](CC2SCCS2)C1
InChIInChI=1S/C8H15NS2/c1-2-7(9-3-1)6-8-10-4-5-11-8/h7-9H,1-6H2/t7-/m0/s1
InChIKeyPNEDJSSEZZRMJY-ZETCQYMHSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazolidine, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-
CID 3074281
Thiazolidine, 2-ethyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-
CID 3074282
Thiazolidine, 2-(2-(2-ethyl-1,3-dithiolan-2-yl)ethyl)-2-methyl-
CID 3074283
Thiazolidine, 2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-2-propyl-
CID 3074284
Thiazolidine, 2-methyl-2-(2-(2-propyl-1,3-dithiolan-2-yl)ethyl)-
CID 3074285
Thiazolidine, 2-butyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-
CID 3074287
Thiazolidine, 2-(2-(2-butyl-1,3-dithiolan-2-yl)ethyl)-2-methyl-
CID 3074288
Thiazolidine, 2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-2-pentyl-
CID 3074289
Thiazolidine, 2-methyl-2-(2-(2-pentyl-1,3-dithiolan-2-yl)ethyl)-
CID 3074290
(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine
CID 11041899
Tetrahydrothienopyrrolidine
CID 58300415
(1S,4S)-2-Thia-5-azabicyclo[2.2.1]heptane
CID 15428053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
The IUPAC name of (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine (CID 643425) is (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine is C1CN[C@H](CC2SCCS2)C1.
What is the InChIKey of (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
The InChIKey is PNEDJSSEZZRMJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NS2/c1-2-7(9-3-1)6-8-10-4-5-11-8/h7-9H,1-6H2/t7-/m0/s1.
What are the key properties of (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine?
(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine has a molecular weight of 189.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 643425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).