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

C17H26N2S — CID 106622668

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCN(CC1CCCCN1)C1CCSc2ccccc21
InChIInChI=1S/C17H26N2S/c1-2-19(13-14-7-5-6-11-18-14)16-10-12-20-17-9-4-3-8-15(16)17/h3-4,8-9,14,16,18H,2,5-7,10-13H2,1H3
InChIKeyROAHJPWZBGIMGO-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.69
Rot. Bonds4

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

N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 106622668) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID106622668
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCN(CC1CCCCN1)C1CCSc2ccccc21
InChIInChI=1S/C17H26N2S/c1-2-19(13-14-7-5-6-11-18-14)16-10-12-20-17-9-4-3-8-15(16)17/h3-4,8-9,14,16,18H,2,5-7,10-13H2,1H3
InChIKeyROAHJPWZBGIMGO-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106621816
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106603161
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603480
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
3-[3,4-dihydro-2H-thiochromen-4-yl(ethyl)amino]propanoic acid
CID 65062660
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
N-ethyl-N-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106622760
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
N-ethyl-7-methoxy-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106603727
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-(piperidin-2-ylmethyl)-N-propyl-3,4-dihydro-1H-isochromen-4-amine
CID 107150035

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 106622668) is N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is CCN(CC1CCCCN1)C1CCSc2ccccc21.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ROAHJPWZBGIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-19(13-14-7-5-6-11-18-14)16-10-12-20-17-9-4-3-8-15(16)17/h3-4,8-9,14,16,18H,2,5-7,10-13H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 290.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 106622668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).