1,3-benzodioxole-4-sulfonamide;2-propylmorpholine

C14H22N2O5S — CID 66694423

IUPAC1,3-benzodioxole-4-sulfonamide;2-propylmorpholine
SMILESCCCC1CNCCO1.NS(=O)(=O)c1cccc2c1OCO2
InChIInChI=1S/C7H7NO4S.C7H15NO/c8-13(9,10)6-3-1-2-5-7(6)12-4-11-5;1-2-3-7-6-8-4-5-9-7/h1-3H,4H2,(H2,8,9,10);7-8H,2-6H2,1H3
InChIKeyKRQILMDZFGUWGO-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.84
Rot. Bonds3

About 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine

1,3-benzodioxole-4-sulfonamide;2-propylmorpholine (PubChem CID 66694423) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine.

Molecular Properties

Compound Name1,3-benzodioxole-4-sulfonamide;2-propylmorpholine
PubChem CID66694423
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1,3-benzodioxole-4-sulfonamide;2-propylmorpholine
SMILESCCCC1CNCCO1.NS(=O)(=O)c1cccc2c1OCO2
InChIInChI=1S/C7H7NO4S.C7H15NO/c8-13(9,10)6-3-1-2-5-7(6)12-4-11-5;1-2-3-7-6-8-4-5-9-7/h1-3H,4H2,(H2,8,9,10);7-8H,2-6H2,1H3
InChIKeyKRQILMDZFGUWGO-UHFFFAOYSA-N
XLogP0.84
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(morpholin-2-ylmethylamino)benzenesulfonamide
CID 113287209
N-ethylethanamine;2-propylmorpholine
CID 20504824
2-methyloxirane;2-propylmorpholine
CID 175557051
6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine
CID 115239132
2-[1,3-benzodioxol-4-ylsulfonyl(methyl)amino]-3-methylpentanoic acid
CID 154745228
3-[1-(1,3-benzodioxol-4-yl)propyl]pyrrolidine
CID 83911767
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
2-morpholin-2-ylethanol;toluene
CID 118211589
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155
morpholin-2-ylmethyl phenylmethanesulfonate
CID 175699328
2-heptylmorpholine
CID 65122133
(2R)-2-dodecylmorpholine
CID 129384651

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine?
The IUPAC name of 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine (CID 66694423) is 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine.
What is the SMILES notation for 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine?
The canonical SMILES for 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine is CCCC1CNCCO1.NS(=O)(=O)c1cccc2c1OCO2.
What is the InChIKey of 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine?
The InChIKey is KRQILMDZFGUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S.C7H15NO/c8-13(9,10)6-3-1-2-5-7(6)12-4-11-5;1-2-3-7-6-8-4-5-9-7/h1-3H,4H2,(H2,8,9,10);7-8H,2-6H2,1H3.
What are the key properties of 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine?
1,3-benzodioxole-4-sulfonamide;2-propylmorpholine has a molecular weight of 330.41 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole-4-sulfonamide;2-propylmorpholine is sourced from PubChem (CID 66694423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).