(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide

C14H20N2O5S — CID 8800783

IUPAC(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O5S/c1-3-6-15-14(17)10(2)16-22(18,19)11-4-5-12-13(9-11)21-8-7-20-12/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyXMPIXOCQWDOSGB-JTQLQIEISA-N
MW328.39 g/mol
LogP0.65
Rot. Bonds6

About (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide (PubChem CID 8800783) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide
PubChem CID8800783
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O5S/c1-3-6-15-14(17)10(2)16-22(18,19)11-4-5-12-13(9-11)21-8-7-20-12/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyXMPIXOCQWDOSGB-JTQLQIEISA-N
XLogP0.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120655290
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methylpropanamide
CID 51089546
N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 42909960
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-hydroxy-3-methylpentanamide
CID 122178463
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115477966
(2S)-N-(4-acetamidophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 41295496
(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 8800873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide?
The IUPAC name of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide (CID 8800783) is (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide?
The canonical SMILES for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide is CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide?
The InChIKey is XMPIXOCQWDOSGB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-6-15-14(17)10(2)16-22(18,19)11-4-5-12-13(9-11)21-8-7-20-12/h4-5,9-10,16H,3,6-8H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide?
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-propylpropanamide is sourced from PubChem (CID 8800783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).