1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine

C10H20N2S2 — CID 146227450

IUPAC1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine
SMILESCN1CCC(SSC2CCN(C)C2)C1
InChIInChI=1S/C10H20N2S2/c1-11-5-3-9(7-11)13-14-10-4-6-12(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyJDNBZNQQLPHNKU-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.78
Rot. Bonds3

About 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine

1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine (PubChem CID 146227450) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine
PubChem CID146227450
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine
SMILESCN1CCC(SSC2CCN(C)C2)C1
InChIInChI=1S/C10H20N2S2/c1-11-5-3-9(7-11)13-14-10-4-6-12(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyJDNBZNQQLPHNKU-UHFFFAOYSA-N
XLogP1.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(1-methylpyrrolidin-3-yl)sulfanylpropan-1-ol
CID 116852387
(3R)-1,3-dimethylpyrrolidine
CID 58412242
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
2-(1-methylpyrrolidin-3-yl)sulfanyl-1H-imidazole
CID 18723020
ethane;2-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 166075678
(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane
CID 177157525
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379
ethane;1-methylpyrrolidine-3-thiol
CID 155717252
ethane;1,3,4-trimethylpiperidine
CID 142222872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine?
The IUPAC name of 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine (CID 146227450) is 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine?
The canonical SMILES for 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine is CN1CCC(SSC2CCN(C)C2)C1.
What is the InChIKey of 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine?
The InChIKey is JDNBZNQQLPHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-11-5-3-9(7-11)13-14-10-4-6-12(2)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine?
1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine has a molecular weight of 232.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine is sourced from PubChem (CID 146227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).