N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H20N4O3S — CID 106090960

IUPACN-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1(OC)CCC1
InChIInChI=1S/C11H20N4O3S/c1-12-6-9-7-13-15-10(9)19(16,17)14-8-11(18-2)4-3-5-11/h7,12,14H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyKSLORCVZIGRCSP-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.02
Rot. Bonds7

About N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106090960) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106090960
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCC1(OC)CCC1
InChIInChI=1S/C11H20N4O3S/c1-12-6-9-7-13-15-10(9)19(16,17)14-8-11(18-2)4-3-5-11/h7,12,14H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyKSLORCVZIGRCSP-UHFFFAOYSA-N
XLogP-0.02
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106092401
N-(1-ethylcyclobutyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 113489224
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
N-[(2-methoxyphenyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106046935
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
4-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106088314
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522942
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
N-(2-ethoxy-2-methylpropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106086739
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106090960) is N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCC1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is KSLORCVZIGRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-12-6-9-7-13-15-10(9)19(16,17)14-8-11(18-2)4-3-5-11/h7,12,14H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106090960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).