N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C18H28N2S — CID 43740209

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCN1CCC(C(C)NC2CCSc3ccccc32)CC1
InChIInChI=1S/C18H28N2S/c1-3-20-11-8-15(9-12-20)14(2)19-17-10-13-21-18-7-5-4-6-16(17)18/h4-7,14-15,17,19H,3,8-13H2,1-2H3
InChIKeyPUUZYCHYWRBPFK-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43740209) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43740209
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCN1CCC(C(C)NC2CCSc3ccccc32)CC1
InChIInChI=1S/C18H28N2S/c1-3-20-11-8-15(9-12-20)14(2)19-17-10-13-21-18-7-5-4-6-16(17)18/h4-7,14-15,17,19H,3,8-13H2,1-2H3
InChIKeyPUUZYCHYWRBPFK-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436
N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43675785
N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 63476797
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
N-(5-methylheptan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740223
N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 79008955
2-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476759
N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345285
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43740209) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is CCN1CCC(C(C)NC2CCSc3ccccc32)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is PUUZYCHYWRBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-3-20-11-8-15(9-12-20)14(2)19-17-10-13-21-18-7-5-4-6-16(17)18/h4-7,14-15,17,19H,3,8-13H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 304.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43740209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).