N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

C10H17N3O4S — CID 113267686

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2COC(C)(C)O2)cn1
InChIInChI=1S/C10H17N3O4S/c1-10(2)16-7-8(17-10)4-12-18(14,15)9-5-11-13(3)6-9/h5-6,8,12H,4,7H2,1-3H3
InChIKeySLXJJUWKBDAFNK-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.15
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 113267686) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID113267686
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2COC(C)(C)O2)cn1
InChIInChI=1S/C10H17N3O4S/c1-10(2)16-7-8(17-10)4-12-18(14,15)9-5-11-13(3)6-9/h5-6,8,12H,4,7H2,1-3H3
InChIKeySLXJJUWKBDAFNK-UHFFFAOYSA-N
XLogP-0.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 107386127
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
CID 3836231
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
CID 3261303
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 103815248
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107389033
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 103815251
1-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyrazole-4-sulfonamide
CID 131949227
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 113267686) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2COC(C)(C)O2)cn1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is SLXJJUWKBDAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-10(2)16-7-8(17-10)4-12-18(14,15)9-5-11-13(3)6-9/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 113267686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).