N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide

C13H26N4O8S3 — CID 159894049

IUPACN-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)N1CCCCC1.CC(=O)NS(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S.C6H12N2O5S2/c1-7(10)8-13(11,12)9-5-3-2-4-6-9;1-6(9)7-15(12,13)8-2-4-14(10,11)5-3-8/h2-6H2,1H3,(H,8,10);2-5H2,1H3,(H,7,9)
InChIKeyNVCRZYBKEVMSHA-UHFFFAOYSA-N
MW462.57 g/mol
LogP-2.05
Rot. Bonds4

About N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide

N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide (PubChem CID 159894049) has the molecular formula C13H26N4O8S3 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide
PubChem CID159894049
Molecular FormulaC13H26N4O8S3
Molecular Weight462.57 g/mol
Exact Mass462.09
IUPAC NameN-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide
SMILESCC(=O)NS(=O)(=O)N1CCCCC1.CC(=O)NS(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C7H14N2O3S.C6H12N2O5S2/c1-7(10)8-13(11,12)9-5-3-2-4-6-9;1-6(9)7-15(12,13)8-2-4-14(10,11)5-3-8/h2-6H2,1H3,(H,8,10);2-5H2,1H3,(H,7,9)
InChIKeyNVCRZYBKEVMSHA-UHFFFAOYSA-N
XLogP-2.05
TPSA167.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide with MolForge

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Related Compounds

N-piperidin-1-ylsulfonylacetamide
CID 59405916
1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
CID 134126330
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide
CID 75439146
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565229
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 56798491
2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
CID 61262486
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-4-carboxylic acid
CID 60858617
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94451901

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide?
The IUPAC name of N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide (CID 159894049) is N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide.
What is the SMILES notation for N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide?
The canonical SMILES for N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide is CC(=O)NS(=O)(=O)N1CCCCC1.CC(=O)NS(=O)(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide?
The InChIKey is NVCRZYBKEVMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.C6H12N2O5S2/c1-7(10)8-13(11,12)9-5-3-2-4-6-9;1-6(9)7-15(12,13)8-2-4-14(10,11)5-3-8/h2-6H2,1H3,(H,8,10);2-5H2,1H3,(H,7,9).
What are the key properties of N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide?
N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide has a molecular weight of 462.57 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide is sourced from PubChem (CID 159894049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).