1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide

C13H17NO4S2 — CID 126806493

IUPAC1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide
SMILESO=S1(=O)CC(S(=O)(=O)NC2CCCc3ccccc32)C1
InChIInChI=1S/C13H17NO4S2/c15-19(16)8-11(9-19)20(17,18)14-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeySJLCUTXHLLVTHI-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.78
Rot. Bonds3

About 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide

1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide (PubChem CID 126806493) has the molecular formula C13H17NO4S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide
PubChem CID126806493
Molecular FormulaC13H17NO4S2
Molecular Weight315.42 g/mol
Exact Mass315.06
IUPAC Name1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide
SMILESO=S1(=O)CC(S(=O)(=O)NC2CCCc3ccccc32)C1
InChIInChI=1S/C13H17NO4S2/c15-19(16)8-11(9-19)20(17,18)14-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeySJLCUTXHLLVTHI-UHFFFAOYSA-N
XLogP0.78
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 79578857
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
(E)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethenesulfonamide
CID 2375188
2-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 95733764
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
CID 28561014
1-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 92679624

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide (CID 126806493) is 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide is O=S1(=O)CC(S(=O)(=O)NC2CCCc3ccccc32)C1.
What is the InChIKey of 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide?
The InChIKey is SJLCUTXHLLVTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S2/c15-19(16)8-11(9-19)20(17,18)14-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14H,3,5,7-9H2.
What are the key properties of 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide?
1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide is sourced from PubChem (CID 126806493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).