2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

C14H22N2O3S — CID 82355205

IUPAC2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C14H22N2O3S/c1-4-7-16-20(17,18)11-5-6-13-12(8-11)15-9-14(19-13)10(2)3/h5-6,8,10,14-16H,4,7,9H2,1-3H3
InChIKeyUMDCSVNSYRWHJJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.20
Rot. Bonds5

About 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355205) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
PubChem CID82355205
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C14H22N2O3S/c1-4-7-16-20(17,18)11-5-6-13-12(8-11)15-9-14(19-13)10(2)3/h5-6,8,10,14-16H,4,7,9H2,1-3H3
InChIKeyUMDCSVNSYRWHJJ-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355156
2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098746
2-methyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098710
N-ethyl-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 82355180
1-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanol
CID 82354906
2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355158
3,3-dimethyl-N-propyl-1,2-dihydroindole-6-sulfonamide
CID 70981718
N-(3-aminopropyl)-4-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355141
N-hexyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098729
N-(3-aminopropyl)-2,2-diethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355130
N-butyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759072
N-propyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421701

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CID 82355205) is 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)NCC(C(C)C)O2.
What is the InChIKey of 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is UMDCSVNSYRWHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-7-16-20(17,18)11-5-6-13-12(8-11)15-9-14(19-13)10(2)3/h5-6,8,10,14-16H,4,7,9H2,1-3H3.
What are the key properties of 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).