6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

C14H22N2O3S2 — CID 107337241

IUPAC6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O3S2/c1-3-12(9-20-2)16-21(17,18)13-8-11(15)7-10-5-4-6-19-14(10)13/h7-8,12,16H,3-6,9,15H2,1-2H3
InChIKeyJUGVPSARKYDZRZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.01
Rot. Bonds6

About 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337241) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337241
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O3S2/c1-3-12(9-20-2)16-21(17,18)13-8-11(15)7-10-5-4-6-19-14(10)13/h7-8,12,16H,3-6,9,15H2,1-2H3
InChIKeyJUGVPSARKYDZRZ-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337224
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
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-(2-methylcyclopentyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337125
6-amino-N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337158

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337241) is 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is CCC(CSC)NS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is JUGVPSARKYDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-12(9-20-2)16-21(17,18)13-8-11(15)7-10-5-4-6-19-14(10)13/h7-8,12,16H,3-6,9,15H2,1-2H3.
What are the key properties of 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).