6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide

C16H26N4O3S — CID 133355008

IUPAC6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCN(C(=O)C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H26N4O3S/c1-16(2,3)15(21)20-9-5-8-19(10-11-20)14-7-6-13(12-18-14)24(22,23)17-4/h6-7,12,17H,5,8-11H2,1-4H3
InChIKeyHEGPHAYOEYPCSV-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.07
Rot. Bonds3

About 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide

6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 133355008) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID133355008
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCN(C(=O)C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H26N4O3S/c1-16(2,3)15(21)20-9-5-8-19(10-11-20)14-7-6-13(12-18-14)24(22,23)17-4/h6-7,12,17H,5,8-11H2,1-4H3
InChIKeyHEGPHAYOEYPCSV-UHFFFAOYSA-N
XLogP1.07
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263133
1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331662
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532
2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 171335437
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133298305
N-methyl-4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzenesulfonamide
CID 59466466
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22478457
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-1,3-thiazole-5-sulfonamide
CID 133355060
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide (CID 133355008) is 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCCN(C(=O)C(C)(C)C)CC2)nc1.
What is the InChIKey of 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is HEGPHAYOEYPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-16(2,3)15(21)20-9-5-8-19(10-11-20)14-7-6-13(12-18-14)24(22,23)17-4/h6-7,12,17H,5,8-11H2,1-4H3.
What are the key properties of 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide?
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133355008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).