[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride

C19H30ClN3O4S — CID 119469450

IUPAC[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3CN)cc2)CC(C)O1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-14-12-21(13-15(2)26-14)27(24,25)18-8-6-16(7-9-18)19(23)22-10-4-3-5-17(22)11-20;/h6-9,14-15,17H,3-5,10-13,20H2,1-2H3;1H
InChIKeyMCDRQEKEJDUJAZ-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.86
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride (PubChem CID 119469450) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
PubChem CID119469450
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3CN)cc2)CC(C)O1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-14-12-21(13-15(2)26-14)27(24,25)18-8-6-16(7-9-18)19(23)22-10-4-3-5-17(22)11-20;/h6-9,14-15,17H,3-5,10-13,20H2,1-2H3;1H
InChIKeyMCDRQEKEJDUJAZ-UHFFFAOYSA-N
XLogP1.86
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone
CID 119469447
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 2326492
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 124694657
[2-(aminomethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119468234
4-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one;hydrochloride
CID 119467777
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 124694666
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073491
[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952914
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride (CID 119469450) is [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride is CC1CN(S(=O)(=O)c2ccc(C(=O)N3CCCCC3CN)cc2)CC(C)O1.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride?
The InChIKey is MCDRQEKEJDUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-14-12-21(13-15(2)26-14)27(24,25)18-8-6-16(7-9-18)19(23)22-10-4-3-5-17(22)11-20;/h6-9,14-15,17H,3-5,10-13,20H2,1-2H3;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride is sourced from PubChem (CID 119469450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).