1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine

C10H21N3S — CID 139514313

IUPAC1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine
SMILESSN1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C10H21N3S/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h14H,1-10H2
InChIKeyGQNJNFRQCQFDIN-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.54
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine

1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine (PubChem CID 139514313) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine
PubChem CID139514313
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine
SMILESSN1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C10H21N3S/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h14H,1-10H2
InChIKeyGQNJNFRQCQFDIN-UHFFFAOYSA-N
XLogP0.54
TPSA9.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
1-[2-(aziridin-1-yl)ethyl]aziridine
CID 3009817
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
ethane;3-pyrrolidin-1-ylpropane-1-thiol
CID 168955695
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine
CID 107913826
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
1-propylpyrrolidine;hydrobromide
CID 173024709

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine (CID 139514313) is 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine is SN1CCN(CCN2CCCC2)CC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine?
The InChIKey is GQNJNFRQCQFDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c14-13-9-7-12(8-10-13)6-5-11-3-1-2-4-11/h14H,1-10H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine?
1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine has a molecular weight of 215.37 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine is sourced from PubChem (CID 139514313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).