N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine

C12H18N2S — CID 107132075

IUPACN-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1ccc(CNCC2CCSC2)cn1
InChIInChI=1S/C12H18N2S/c1-10-2-3-11(8-14-10)6-13-7-12-4-5-15-9-12/h2-3,8,12-13H,4-7,9H2,1H3
InChIKeyYLTOHVIYBCYUCR-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.23
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine

N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107132075) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107132075
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1ccc(CNCC2CCSC2)cn1
InChIInChI=1S/C12H18N2S/c1-10-2-3-11(8-14-10)6-13-7-12-4-5-15-9-12/h2-3,8,12-13H,4-7,9H2,1H3
InChIKeyYLTOHVIYBCYUCR-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-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
N-[(4-bromophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131239
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 107295445
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295484
N-[(4-pentoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295288
N-[(4-prop-2-enoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295418
2-chloro-4-[(thiolan-3-ylmethylamino)methyl]phenol
CID 107295304
N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
CID 105378694
5-[(thiolan-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 107297439
N-(1,3-benzodioxol-5-ylmethyl)-1-(thiolan-3-yl)methanamine
CID 107131270
N-[(4-bromo-3-chlorophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107302810
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107167980

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine (CID 107132075) is N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine is Cc1ccc(CNCC2CCSC2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is YLTOHVIYBCYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-2-3-11(8-14-10)6-13-7-12-4-5-15-9-12/h2-3,8,12-13H,4-7,9H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(6-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-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107132075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).