4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

C13H20N2O3S — CID 82728733

IUPAC4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC2CCOC2C)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(14)11-3-5-12(6-4-11)19(16,17)15-13-7-8-18-10(13)2/h3-6,9-10,13,15H,7-8,14H2,1-2H3
InChIKeyIDZZPWRATAWKHE-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds4

About 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82728733) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82728733
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC2CCOC2C)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(14)11-3-5-12(6-4-11)19(16,17)15-13-7-8-18-10(13)2/h3-6,9-10,13,15H,7-8,14H2,1-2H3
InChIKeyIDZZPWRATAWKHE-UHFFFAOYSA-N
XLogP1.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076129
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
4-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729356
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654
N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076143
2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide
CID 82726200
4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62409796
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82728733) is 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)NC2CCOC2C)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is IDZZPWRATAWKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(14)11-3-5-12(6-4-11)19(16,17)15-13-7-8-18-10(13)2/h3-6,9-10,13,15H,7-8,14H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 284.38 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 4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82728733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).