6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide

C14H18N2O3S — CID 107337224

IUPAC6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H18N2O3S/c1-3-5-10(2)16-20(17,18)13-9-12(15)8-11-6-4-7-19-14(11)13/h1,8-10,16H,4-7,15H2,2H3
InChIKeyINUZCHNVICVJBW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.28
Rot. Bonds4

About 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337224) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337224
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H18N2O3S/c1-3-5-10(2)16-20(17,18)13-9-12(15)8-11-6-4-7-19-14(11)13/h1,8-10,16H,4-7,15H2,2H3
InChIKeyINUZCHNVICVJBW-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337241
6-amino-N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337158
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337010
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337100

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337224) is 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide is C#CCC(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is INUZCHNVICVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-5-10(2)16-20(17,18)13-9-12(15)8-11-6-4-7-19-14(11)13/h1,8-10,16H,4-7,15H2,2H3.
What are the key properties of 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).