[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine

C12H24N2S — CID 107133244

IUPAC[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCN(CC2CCSC2)C(CN)C1
InChIInChI=1S/C12H24N2S/c1-10-2-4-14(12(6-10)7-13)8-11-3-5-15-9-11/h10-12H,2-9,13H2,1H3
InChIKeyMSEQRYCESQGHGM-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.80
Rot. Bonds3

About [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine

[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 107133244) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine
PubChem CID107133244
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCN(CC2CCSC2)C(CN)C1
InChIInChI=1S/C12H24N2S/c1-10-2-4-14(12(6-10)7-13)8-11-3-5-15-9-11/h10-12H,2-9,13H2,1H3
InChIKeyMSEQRYCESQGHGM-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 131067547
[4-methyl-1-(oxolan-3-ylmethyl)piperidin-2-yl]methanamine
CID 103440342
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
CID 103441569
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
(3aR,6aR)-1-(thiolan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 130847499
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine (CID 107133244) is [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine is CC1CCN(CC2CCSC2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is MSEQRYCESQGHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-2-4-14(12(6-10)7-13)8-11-3-5-15-9-11/h10-12H,2-9,13H2,1H3.
What are the key properties of [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine?
[4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 228.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(thiolan-3-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 107133244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).