[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide

C11H19N3O3S — CID 116793915

IUPAC[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
SMILESCn1cc(OCC2(CS(N)(=O)=O)CCCC2)cn1
InChIInChI=1S/C11H19N3O3S/c1-14-7-10(6-13-14)17-8-11(4-2-3-5-11)9-18(12,15)16/h6-7H,2-5,8-9H2,1H3,(H2,12,15,16)
InChIKeyOBJNGBOHLLBQBP-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.65
Rot. Bonds5

About [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide

[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide (PubChem CID 116793915) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
PubChem CID116793915
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide
SMILESCn1cc(OCC2(CS(N)(=O)=O)CCCC2)cn1
InChIInChI=1S/C11H19N3O3S/c1-14-7-10(6-13-14)17-8-11(4-2-3-5-11)9-18(12,15)16/h6-7H,2-5,8-9H2,1H3,(H2,12,15,16)
InChIKeyOBJNGBOHLLBQBP-UHFFFAOYSA-N
XLogP0.65
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003047
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
9-(1-methylpyrazol-4-yl)oxynonane-1-sulfonamide
CID 105343945
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003339
1-methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519
3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793914
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793917

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide (CID 116793915) is [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide is Cn1cc(OCC2(CS(N)(=O)=O)CCCC2)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide?
The InChIKey is OBJNGBOHLLBQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-14-7-10(6-13-14)17-8-11(4-2-3-5-11)9-18(12,15)16/h6-7H,2-5,8-9H2,1H3,(H2,12,15,16).
What are the key properties of [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide?
[1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)oxymethyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 116793915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).