2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine

C10H14N2S — CID 94408883

IUPAC2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
SMILESc1ccc(SC[C@H]2CCNC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2/t9-/m0/s1
InChIKeyQQVPEDMHKYROOR-VIFPVBQESA-N
MW194.30 g/mol
LogP1.78
Rot. Bonds3

About 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine

2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine (PubChem CID 94408883) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
PubChem CID94408883
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
SMILESc1ccc(SC[C@H]2CCNC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2/t9-/m0/s1
InChIKeyQQVPEDMHKYROOR-VIFPVBQESA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
2-chloro-4-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163842
cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine
CID 11962950
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-[2-(pyrrolidin-3-ylmethoxy)ethyl]pyridine
CID 62371245
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178445
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637112

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine?
The IUPAC name of 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine (CID 94408883) is 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine.
What is the SMILES notation for 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine?
The canonical SMILES for 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine is c1ccc(SC[C@H]2CCNC2)nc1.
What is the InChIKey of 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine?
The InChIKey is QQVPEDMHKYROOR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2/t9-/m0/s1.
What are the key properties of 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine?
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine has a molecular weight of 194.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine is sourced from PubChem (CID 94408883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).