N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C14H24N4O3S — CID 110335663

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N4O3S/c1-11-14(12(2)16-15-11)22(20,21)17(3)10-13(19)18-8-6-4-5-7-9-18/h4-10H2,1-3H3,(H,15,16)
InChIKeyJXVFBDYIXWXZJT-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.05
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110335663) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110335663
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H24N4O3S/c1-11-14(12(2)16-15-11)22(20,21)17(3)10-13(19)18-8-6-4-5-7-9-18/h4-10H2,1-3H3,(H,15,16)
InChIKeyJXVFBDYIXWXZJT-UHFFFAOYSA-N
XLogP1.05
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60700136
N,3,5-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrazole-4-sulfonamide
CID 110335606
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110335613
N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 17402913
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603
N-(3-hydroxybutyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 115901960
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 110335663) is N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JXVFBDYIXWXZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11-14(12(2)16-15-11)22(20,21)17(3)10-13(19)18-8-6-4-5-7-9-18/h4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110335663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).