N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine

C12H18N2S — CID 107166716

IUPACN-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1cncc(CNCC2CCSC2)c1
InChIInChI=1S/C12H18N2S/c1-10-4-12(7-13-5-10)8-14-6-11-2-3-15-9-11/h4-5,7,11,14H,2-3,6,8-9H2,1H3
InChIKeyXOHHQBWWVCPXOB-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.23
Rot. Bonds4

About N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine

N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107166716) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107166716
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1cncc(CNCC2CCSC2)c1
InChIInChI=1S/C12H18N2S/c1-10-4-12(7-13-5-10)8-14-6-11-2-3-15-9-11/h4-5,7,11,14H,2-3,6,8-9H2,1H3
InChIKeyXOHHQBWWVCPXOB-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107132075
1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107166073
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287
2,2-dicyclopropyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880910
1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 102878907
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295484
N-[(4-bromophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131239
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107914942
N-[(5-nitrothiophen-3-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295477
2-chloro-4-[(thiolan-3-ylmethylamino)methyl]phenol
CID 107295304
N-(1,3-benzodioxol-5-ylmethyl)-1-(thiolan-3-yl)methanamine
CID 107131270

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine (CID 107166716) is N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine is Cc1cncc(CNCC2CCSC2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is XOHHQBWWVCPXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-4-12(7-13-5-10)8-14-6-11-2-3-15-9-11/h4-5,7,11,14H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107166716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).