N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine

C11H22N2S — CID 61205054

IUPACN-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C2CCSC2)C1
InChIInChI=1S/C11H22N2S/c1-12-7-10-3-2-5-13(8-10)11-4-6-14-9-11/h10-12H,2-9H2,1H3
InChIKeyGZRAJPODPKZBQG-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine

N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine (PubChem CID 61205054) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine
PubChem CID61205054
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C2CCSC2)C1
InChIInChI=1S/C11H22N2S/c1-12-7-10-3-2-5-13(8-10)11-4-6-14-9-11/h10-12H,2-9H2,1H3
InChIKeyGZRAJPODPKZBQG-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80722722
1-(4-Methylsulfanylpyrrolidin-3-yl)-3-(trifluoromethyl)piperidine
CID 82760328
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-3-amine
CID 105473222
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
CID 105473225
N,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429788
3-methyl-N-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429796
N-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 106429805
N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107166114
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 113543960

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine (CID 61205054) is N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine is CNCC1CCCN(C2CCSC2)C1.
What is the InChIKey of N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine?
The InChIKey is GZRAJPODPKZBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-12-7-10-3-2-5-13(8-10)11-4-6-14-9-11/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine has a molecular weight of 214.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 61205054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).