N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

C15H24ClN3O3S — CID 120724059

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NCc2ccc3c(c2)CNC3)CC(C)O1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-9-18(10-12(2)21-11)22(19,20)17-6-13-3-4-14-7-16-8-15(14)5-13;/h3-5,11-12,16-17H,6-10H2,1-2H3;1H
InChIKeyQDGKLZANQDTPNR-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.16
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (PubChem CID 120724059) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
PubChem CID120724059
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NCc2ccc3c(c2)CNC3)CC(C)O1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-9-18(10-12(2)21-11)22(19,20)17-6-13-3-4-14-7-16-8-15(14)5-13;/h3-5,11-12,16-17H,6-10H2,1-2H3;1H
InChIKeyQDGKLZANQDTPNR-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120724137
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 52527539
2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47215824
(2R,6R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94022877
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
CID 105357723
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)morpholine-4-sulfonamide;hydrochloride
CID 120720986
1-[4-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 46452711
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 120724098
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
CID 120724092

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (CID 120724059) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is CC1CN(S(=O)(=O)NCc2ccc3c(c2)CNC3)CC(C)O1.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The InChIKey is QDGKLZANQDTPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11-9-18(10-12(2)21-11)22(19,20)17-6-13-3-4-14-7-16-8-15(14)5-13;/h3-5,11-12,16-17H,6-10H2,1-2H3;1H.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120724059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).