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

C18H28N2S — CID 106625395

IUPACN-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCN(CC1CCCNC1)C1CCSc2ccccc21
InChIInChI=1S/C18H28N2S/c1-2-11-20(14-15-6-5-10-19-13-15)17-9-12-21-18-8-4-3-7-16(17)18/h3-4,7-8,15,17,19H,2,5-6,9-14H2,1H3
InChIKeySEJZZHQRTIOJRL-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.94
Rot. Bonds5

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

N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 106625395) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID106625395
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCN(CC1CCCNC1)C1CCSc2ccccc21
InChIInChI=1S/C18H28N2S/c1-2-11-20(14-15-6-5-10-19-13-15)17-9-12-21-18-8-4-3-7-16(17)18/h3-4,7-8,15,17,19H,2,5-6,9-14H2,1H3
InChIKeySEJZZHQRTIOJRL-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106622668
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853583
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640830
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
3-[3,4-dihydro-2H-thiochromen-4-yl(ethyl)amino]propanoic acid
CID 65062660
3,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propylcyclohexan-1-amine
CID 106625170
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 106625395) is N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCN(CC1CCCNC1)C1CCSc2ccccc21.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is SEJZZHQRTIOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-11-20(14-15-6-5-10-19-13-15)17-9-12-21-18-8-4-3-7-16(17)18/h3-4,7-8,15,17,19H,2,5-6,9-14H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 304.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 106625395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).