N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine

C15H22N2S — CID 55249309

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
SMILESCN(C1CCCNC1)C1CCSc2ccccc21
InChIInChI=1S/C15H22N2S/c1-17(12-5-4-9-16-11-12)14-8-10-18-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,16H,4-5,8-11H2,1H3
InChIKeyLCGXENJQJKTMJK-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.91
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine

N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine (PubChem CID 55249309) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
PubChem CID55249309
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
SMILESCN(C1CCCNC1)C1CCSc2ccccc21
InChIInChI=1S/C15H22N2S/c1-17(12-5-4-9-16-11-12)14-8-10-18-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,16H,4-5,8-11H2,1H3
InChIKeyLCGXENJQJKTMJK-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 107172050
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106621816
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
4-iodo-3,4-dihydro-2H-thiochromene
CID 70353401
N-methyl-N-(2-methylcyclopentyl)piperidin-3-amine
CID 65044833
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine (CID 55249309) is N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine is CN(C1CCCNC1)C1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine?
The InChIKey is LCGXENJQJKTMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-17(12-5-4-9-16-11-12)14-8-10-18-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,16H,4-5,8-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine?
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine has a molecular weight of 262.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 55249309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).