N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

C16H24N2OS — CID 43675785

IUPACN-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CN1CCOCC1)NC1CCSc2ccccc21
InChIInChI=1S/C16H24N2OS/c1-13(12-18-7-9-19-10-8-18)17-15-6-11-20-16-5-3-2-4-14(15)16/h2-5,13,15,17H,6-12H2,1H3
InChIKeyCTJLUIVEIUHWPO-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.53
Rot. Bonds4

About N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43675785) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43675785
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CN1CCOCC1)NC1CCSc2ccccc21
InChIInChI=1S/C16H24N2OS/c1-13(12-18-7-9-19-10-8-18)17-15-6-11-20-16-5-3-2-4-14(15)16/h2-5,13,15,17H,6-12H2,1H3
InChIKeyCTJLUIVEIUHWPO-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43675875
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
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
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740209
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ylethyl)urea
CID 94021234
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
2-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476759
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1,2,4,5-tetrahydro-3-benzothiepin-5-amine
CID 84588002
N-(1-pyrrolidin-1-ylpropan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61474832

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43675785) is N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is CC(CN1CCOCC1)NC1CCSc2ccccc21.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CTJLUIVEIUHWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13(12-18-7-9-19-10-8-18)17-15-6-11-20-16-5-3-2-4-14(15)16/h2-5,13,15,17H,6-12H2,1H3.
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 292.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).