4-methyl-1-(thian-4-yl)piperidine

C11H21NS — CID 20758867

IUPAC4-methyl-1-(thian-4-yl)piperidine
SMILESCC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H21NS/c1-10-2-6-12(7-3-10)11-4-8-13-9-5-11/h10-11H,2-9H2,1H3
InChIKeyMQSPYAVMFZQSFA-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds1

About 4-methyl-1-(thian-4-yl)piperidine

4-methyl-1-(thian-4-yl)piperidine (PubChem CID 20758867) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-methyl-1-(thian-4-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(thian-4-yl)piperidine
PubChem CID20758867
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-methyl-1-(thian-4-yl)piperidine
SMILESCC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H21NS/c1-10-2-6-12(7-3-10)11-4-8-13-9-5-11/h10-11H,2-9H2,1H3
InChIKeyMQSPYAVMFZQSFA-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(1,3-Dithian-2-yl)pent-2-ynyl]-4-methylpiperidine
CID 44287699
4-[1-(2-Ethylbutyl)-4-piperidinyl]thiomorpholine
CID 39826332
1-[2-(2-Methylpropylsulfanyl)ethyl]piperidine
CID 13668932
7-Isopropyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 15035848
1-[5-(3-Methylbutylsulfanyl)pentyl]piperidine
CID 18965262
1-[3-(3-Methylbutylsulfanyl)propyl]piperidine
CID 18965269
10-Ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
CID 20676440
4-(4-Methylcyclohexyl)thiomorpholine
CID 20761843
3,3,7-Trimethyl-3lambda4-thia-7-azabicyclo[3.3.1]nonane
CID 21021856
7,9-Dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
CID 21132332
1-[1-(3-Methylbutylsulfanyl)pentan-2-yl]piperidine
CID 21695990
1-[1-(3-Methylbutylsulfanyl)propan-2-yl]piperidine
CID 21695994

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thian-4-yl)piperidine?
The IUPAC name of 4-methyl-1-(thian-4-yl)piperidine (CID 20758867) is 4-methyl-1-(thian-4-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(thian-4-yl)piperidine?
The canonical SMILES for 4-methyl-1-(thian-4-yl)piperidine is CC1CCN(C2CCSCC2)CC1.
What is the InChIKey of 4-methyl-1-(thian-4-yl)piperidine?
The InChIKey is MQSPYAVMFZQSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10-2-6-12(7-3-10)11-4-8-13-9-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-methyl-1-(thian-4-yl)piperidine?
4-methyl-1-(thian-4-yl)piperidine has a molecular weight of 199.36 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thian-4-yl)piperidine is sourced from PubChem (CID 20758867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).