N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C16H24N2S — CID 106623860

IUPACN-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCN(CC1CCCNC1)C1CCSc2ccccc21
InChIInChI=1S/C16H24N2S/c1-18(12-13-5-4-9-17-11-13)15-8-10-19-16-7-3-2-6-14(15)16/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyLNDDXUIMFXBIFP-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.15
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 106623860) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID106623860
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCN(CC1CCCNC1)C1CCSc2ccccc21
InChIInChI=1S/C16H24N2S/c1-18(12-13-5-4-9-17-11-13)15-8-10-19-16-7-3-2-6-14(15)16/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyLNDDXUIMFXBIFP-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
6-bromo-N-methyl-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 119931431
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106603161
N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine
CID 106623912
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 103815781
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
CID 119931685
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164498

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 106623860) is N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is CN(CC1CCCNC1)C1CCSc2ccccc21.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is LNDDXUIMFXBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-18(12-13-5-4-9-17-11-13)15-8-10-19-16-7-3-2-6-14(15)16/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 276.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 106623860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).