1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride

C17H26ClN3O4S — CID 120932755

IUPAC1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1(CN)CCOCC1)CC2.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-19(2)25(22,23)14-4-3-13-5-8-20(15(13)11-14)16(21)17(12-18)6-9-24-10-7-17;/h3-4,11H,5-10,12,18H2,1-2H3;1H
InChIKeyAFFHAZNMQRPXSI-UHFFFAOYSA-N
MW403.93 g/mol
LogP1.00
Rot. Bonds4

About 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 120932755) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID120932755
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1(CN)CCOCC1)CC2.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-19(2)25(22,23)14-4-3-13-5-8-20(15(13)11-14)16(21)17(12-18)6-9-24-10-7-17;/h3-4,11H,5-10,12,18H2,1-2H3;1H
InChIKeyAFFHAZNMQRPXSI-UHFFFAOYSA-N
XLogP1.00
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 120929972
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785912
N,N-dimethyl-1-(morpholine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785866
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 56805828
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066
N,N-dimethyl-1-(morpholine-2-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785904
1-[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120777741
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 120932755) is 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1(CN)CCOCC1)CC2.Cl.
What is the InChIKey of 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is AFFHAZNMQRPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-19(2)25(22,23)14-4-3-13-5-8-20(15(13)11-14)16(21)17(12-18)6-9-24-10-7-17;/h3-4,11H,5-10,12,18H2,1-2H3;1H.
What are the key properties of 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxane-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120932755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).