3-(3-methylsulfanylpyrrolidin-1-yl)piperidine

C10H20N2S — CID 131048051

IUPAC3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
SMILESCSC1CCN(C2CCCNC2)C1
InChIInChI=1S/C10H20N2S/c1-13-10-4-6-12(8-10)9-3-2-5-11-7-9/h9-11H,2-8H2,1H3
InChIKeyHQKIFGOPBIMRSK-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.18
Rot. Bonds2

About 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine

3-(3-methylsulfanylpyrrolidin-1-yl)piperidine (PubChem CID 131048051) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
PubChem CID131048051
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
SMILESCSC1CCN(C2CCCNC2)C1
InChIInChI=1S/C10H20N2S/c1-13-10-4-6-12(8-10)9-3-2-5-11-7-9/h9-11H,2-8H2,1H3
InChIKeyHQKIFGOPBIMRSK-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
1-piperidin-3-ylpiperidin-4-amine
CID 53414003
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166934569
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 131204117
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
CID 174829694
N-methyl-1-piperidin-3-ylpiperidine-4-carboxamide
CID 61442428
(3R)-3-fluoro-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 123801456
1-cyclopropyl-4-methylsulfanylpiperidine
CID 146208797

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine?
The IUPAC name of 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine (CID 131048051) is 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine.
What is the SMILES notation for 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine?
The canonical SMILES for 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine is CSC1CCN(C2CCCNC2)C1.
What is the InChIKey of 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine?
The InChIKey is HQKIFGOPBIMRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-13-10-4-6-12(8-10)9-3-2-5-11-7-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine?
3-(3-methylsulfanylpyrrolidin-1-yl)piperidine has a molecular weight of 200.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpyrrolidin-1-yl)piperidine is sourced from PubChem (CID 131048051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).