6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride

C17H23ClN2O4S — CID 119990207

IUPAC6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1.Cl
InChIInChI=1S/C17H22N2O4S.ClH/c1-2-18-12-13-7-9-19(10-8-13)24(21,22)15-4-5-16-14(11-15)3-6-17(20)23-16;/h3-6,11,13,18H,2,7-10,12H2,1H3;1H
InChIKeyWVDRRSPKJYKOSZ-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.22
Rot. Bonds5

About 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride

6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride (PubChem CID 119990207) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride.

Molecular Properties

Compound Name6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
PubChem CID119990207
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1.Cl
InChIInChI=1S/C17H22N2O4S.ClH/c1-2-18-12-13-7-9-19(10-8-13)24(21,22)15-4-5-16-14(11-15)3-6-17(20)23-16;/h3-6,11,13,18H,2,7-10,12H2,1H3;1H
InChIKeyWVDRRSPKJYKOSZ-UHFFFAOYSA-N
XLogP2.22
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
CID 62371698
6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119990661
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
N-[[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990644
N-[[1-(3-chloro-4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120712006
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
CID 55914305
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride
CID 119990495

Frequently Asked Questions

What is the IUPAC name of 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride?
The IUPAC name of 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride (CID 119990207) is 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride.
What is the SMILES notation for 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride?
The canonical SMILES for 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride is CCNCC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1.Cl.
What is the InChIKey of 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride?
The InChIKey is WVDRRSPKJYKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S.ClH/c1-2-18-12-13-7-9-19(10-8-13)24(21,22)15-4-5-16-14(11-15)3-6-17(20)23-16;/h3-6,11,13,18H,2,7-10,12H2,1H3;1H.
What are the key properties of 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride?
6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride is sourced from PubChem (CID 119990207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).