2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol

C11H16N2S — CID 142393925

IUPAC2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
SMILESSCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C11H16N2S/c14-9-11(13-6-1-2-7-13)10-4-3-5-12-8-10/h3-5,8,11,14H,1-2,6-7,9H2
InChIKeyMSEYTIBWLKGHJL-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.15
Rot. Bonds3

About 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol

2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol (PubChem CID 142393925) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol.

Molecular Properties

Compound Name2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
PubChem CID142393925
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
SMILESSCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C11H16N2S/c14-9-11(13-6-1-2-7-13)10-4-3-5-12-8-10/h3-5,8,11,14H,1-2,6-7,9H2
InChIKeyMSEYTIBWLKGHJL-UHFFFAOYSA-N
XLogP2.15
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
CID 131944543
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50984326
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol?
The IUPAC name of 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol (CID 142393925) is 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol.
What is the SMILES notation for 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol?
The canonical SMILES for 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol is SCC(c1cccnc1)N1CCCC1.
What is the InChIKey of 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol?
The InChIKey is MSEYTIBWLKGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c14-9-11(13-6-1-2-7-13)10-4-3-5-12-8-10/h3-5,8,11,14H,1-2,6-7,9H2.
What are the key properties of 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol?
2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol has a molecular weight of 208.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol is sourced from PubChem (CID 142393925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).