2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide

C15H22N2OS — CID 103108082

IUPAC2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC1CSCc2ccccc21
InChIInChI=1S/C15H22N2OS/c1-4-17(3)15(18)11(2)16-14-10-19-9-12-7-5-6-8-13(12)14/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyARSOQXAFOMHHOZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.43
Rot. Bonds4

About 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide

2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide (PubChem CID 103108082) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide
PubChem CID103108082
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC1CSCc2ccccc21
InChIInChI=1S/C15H22N2OS/c1-4-17(3)15(18)11(2)16-14-10-19-9-12-7-5-6-8-13(12)14/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyARSOQXAFOMHHOZ-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 63842626
2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-4-methylpentan-1-ol
CID 61247148
methyl (2S)-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-methylbutanoate
CID 43776174
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 113261445
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N,N-diethylpropanamide
CID 60926520
3-[2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethyl]-1,1-dimethylurea
CID 83116492
1-N-(3,4-dihydro-1H-isothiochromen-4-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43769959
N,N-dimethyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 43573994
N-ethyl-N-methyl-2-[(4-phenylcyclohexyl)amino]propanamide
CID 103107072
N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 43783217
N-butan-2-yl-3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide
CID 61022207

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide (CID 103108082) is 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NC1CSCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide?
The InChIKey is ARSOQXAFOMHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-17(3)15(18)11(2)16-14-10-19-9-12-7-5-6-8-13(12)14/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide?
2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).