1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine

C13H18N2O4S2 — CID 62083870

IUPAC1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)C1CCS(=O)(=O)CC1)CC2
InChIInChI=1S/C13H18N2O4S2/c14-11-2-1-10-3-6-15(13(10)9-11)21(18,19)12-4-7-20(16,17)8-5-12/h1-2,9,12H,3-8,14H2
InChIKeySYXTYBWLLFVLRW-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.54
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine

1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine (PubChem CID 62083870) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine
PubChem CID62083870
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)C1CCS(=O)(=O)CC1)CC2
InChIInChI=1S/C13H18N2O4S2/c14-11-2-1-10-3-6-15(13(10)9-11)21(18,19)12-4-7-20(16,17)8-5-12/h1-2,9,12H,3-8,14H2
InChIKeySYXTYBWLLFVLRW-UHFFFAOYSA-N
XLogP0.54
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-(methylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)ethanesulfonamide
CID 7517950
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propane-1-sulfonamide
CID 7517951
N-(1-(methylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-1-phenylmethanesulfonamide
CID 9125363
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-propylsulfonylpropane-1-sulfonamide
CID 162664328
N-ethylsulfonyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)ethanesulfonamide
CID 162665801
6-amino-2,3-dihydro-1H-indole-1-sulfonamide
CID 28418802
6-amino-2,3-dihydro-1H-indole-1-sulfonamide hydrochloride
CID 45791604
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)methanesulfonamide
CID 7517949
N-[1-(Ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-7-YL]ethane-1-sulfonamide
CID 20963042
N-(1-(methylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)butane-1-sulfonamide
CID 45573229
3-Tert-butyl-1-[1-(ethanesulfonyl)-2,3-dihydro-1H-indol-6-YL]urea
CID 46386125
1-(2,5-difluorophenyl)-N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)methanesulfonamide
CID 71796452

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine (CID 62083870) is 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(S(=O)(=O)C1CCS(=O)(=O)CC1)CC2.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
The InChIKey is SYXTYBWLLFVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c14-11-2-1-10-3-6-15(13(10)9-11)21(18,19)12-4-7-20(16,17)8-5-12/h1-2,9,12H,3-8,14H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine?
1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine has a molecular weight of 330.43 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)sulfonyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 62083870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).