2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine

C13H26N2S — CID 79957320

IUPAC2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine
SMILESCC1SCCCC1NCC1CCCCN1C
InChIInChI=1S/C13H26N2S/c1-11-13(7-5-9-16-11)14-10-12-6-3-4-8-15(12)2/h11-14H,3-10H2,1-2H3
InChIKeyJQQOYQNNOMFKIW-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine

2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine (PubChem CID 79957320) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine
PubChem CID79957320
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine
SMILESCC1SCCCC1NCC1CCCCN1C
InChIInChI=1S/C13H26N2S/c1-11-13(7-5-9-16-11)14-10-12-6-3-4-8-15(12)2/h11-14H,3-10H2,1-2H3
InChIKeyJQQOYQNNOMFKIW-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol
CID 79957776
N-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545244
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
CID 102671482
N-[(1-methylpyrrolidin-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106023953
1-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 62659058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine (CID 79957320) is 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine is CC1SCCCC1NCC1CCCCN1C.
What is the InChIKey of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine?
The InChIKey is JQQOYQNNOMFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11-13(7-5-9-16-11)14-10-12-6-3-4-8-15(12)2/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine?
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine is sourced from PubChem (CID 79957320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).