1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide

C10H20N2O6S3 — CID 62084589

IUPAC1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H20N2O6S3/c11-20(15,16)10-2-1-5-12(8-10)21(17,18)9-3-6-19(13,14)7-4-9/h9-10H,1-8H2,(H2,11,15,16)
InChIKeyVKQMLSLWRVIMNR-UHFFFAOYSA-N
MW360.48 g/mol
LogP-1.35
Rot. Bonds3

About 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide

1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide (PubChem CID 62084589) has the molecular formula C10H20N2O6S3 and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide
PubChem CID62084589
Molecular FormulaC10H20N2O6S3
Molecular Weight360.48 g/mol
Exact Mass360.05
IUPAC Name1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H20N2O6S3/c11-20(15,16)10-2-1-5-12(8-10)21(17,18)9-3-6-19(13,14)7-4-9/h9-10H,1-8H2,(H2,11,15,16)
InChIKeyVKQMLSLWRVIMNR-UHFFFAOYSA-N
XLogP-1.35
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-[2-(1-Piperidyl)ethylsulfonyl]ethylsulfonyl]ethyl]piperidine
CID 224950
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CID 558508
4-(isobutylsulfonyl)-N,N-dimethylpiperidine-1-sulfonamide
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2,2-Dimethyl-4-piperidin-1-ylsulfonyl-1,4-thiazinane 1-oxide
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9-Methyl-1lambda6,5lambda6-dithia-9-azaspiro[5.5]undecane 1,1,5,5-tetraoxide
CID 57710446
1-Methylsulfonyl-4-propan-2-ylsulfanylpiperidine
CID 59881949
1,4-Bis(pentylsulfonyl)piperidine
CID 67135358
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CID 68390112
9-Methyl-1lambda4,5lambda6-dithia-9-azaspiro[5.5]undecane 1,5,5-trioxide
CID 89336750
4-Tert-butylsulfonyl-1-methylsulfonylpiperidine
CID 91509292
4-(2-Piperidin-1-ylsulfonylethyl)thiomorpholine
CID 91614221
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CID 123419475

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide (CID 62084589) is 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is VKQMLSLWRVIMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S3/c11-20(15,16)10-2-1-5-12(8-10)21(17,18)9-3-6-19(13,14)7-4-9/h9-10H,1-8H2,(H2,11,15,16).
What are the key properties of 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide?
1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 62084589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).