N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine

C16H24N2S — CID 83006635

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NC1CCSc2ccccc21
InChIInChI=1S/C16H24N2S/c1-12-6-5-7-13(2)18(12)17-15-10-11-19-16-9-4-3-8-14(15)16/h3-4,8-9,12-13,15,17H,5-7,10-11H2,1-2H3
InChIKeyQWLLRGDNVZWMCG-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.99
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine

N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine (PubChem CID 83006635) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
PubChem CID83006635
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NC1CCSc2ccccc21
InChIInChI=1S/C16H24N2S/c1-12-6-5-7-13(2)18(12)17-15-10-11-19-16-9-4-3-8-14(15)16/h3-4,8-9,12-13,15,17H,5-7,10-11H2,1-2H3
InChIKeyQWLLRGDNVZWMCG-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63453791
ethane;4-methyl-3,4-dihydro-2H-thiochromene
CID 143216887
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
1-(1-acetylpiperidin-4-yl)-3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94156488
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43534907
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine (CID 83006635) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine?
The InChIKey is QWLLRGDNVZWMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-6-5-7-13(2)18(12)17-15-10-11-19-16-9-4-3-8-14(15)16/h3-4,8-9,12-13,15,17H,5-7,10-11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine has a molecular weight of 276.45 g/mol, XLogP of 3.99, 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)-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83006635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).