(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine

C9H19NS2 — CID 11041899

IUPAC(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine
SMILESCCSC(SCC)[C@@H]1CCCN1
InChIInChI=1S/C9H19NS2/c1-3-11-9(12-4-2)8-6-5-7-10-8/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyYPTLUFGUHVRCCG-QMMMGPOBSA-N
MW205.39 g/mol
LogP2.57
Rot. Bonds5

About (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine

(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine (PubChem CID 11041899) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine
PubChem CID11041899
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine
SMILESCCSC(SCC)[C@@H]1CCCN1
InChIInChI=1S/C9H19NS2/c1-3-11-9(12-4-2)8-6-5-7-10-8/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyYPTLUFGUHVRCCG-QMMMGPOBSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Pentyl-1,3-thiazolidine
CID 218690
2-Butyl-2-methyl-1,3-thiazolidine
CID 120766
2-Hexyl-2-methyl-1,3-thiazolidine
CID 120771
Thiazolidine, 2,2-dipropyl-
CID 204659
Thiazolidine, 2-heptyl-2-methyl-
CID 3058795
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine (CID 11041899) is (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine is CCSC(SCC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine?
The InChIKey is YPTLUFGUHVRCCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NS2/c1-3-11-9(12-4-2)8-6-5-7-10-8/h8-10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine?
(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine has a molecular weight of 205.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine is sourced from PubChem (CID 11041899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).