N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide

C11H22N4O3S — CID 49463518

IUPACN-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
SMILESCc1nn(CCO)c(C)c1CNCCNS(C)(=O)=O
InChIInChI=1S/C11H22N4O3S/c1-9-11(10(2)15(14-9)6-7-16)8-12-4-5-13-19(3,17)18/h12-13,16H,4-8H2,1-3H3
InChIKeyOOOOIFLNYAIZMV-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.87
Rot. Bonds8

About N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide

N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide (PubChem CID 49463518) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
PubChem CID49463518
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
SMILESCc1nn(CCO)c(C)c1CNCCNS(C)(=O)=O
InChIInChI=1S/C11H22N4O3S/c1-9-11(10(2)15(14-9)6-7-16)8-12-4-5-13-19(3,17)18/h12-13,16H,4-8H2,1-3H3
InChIKeyOOOOIFLNYAIZMV-UHFFFAOYSA-N
XLogP-0.87
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide (CID 49463518) is N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide is Cc1nn(CCO)c(C)c1CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
The InChIKey is OOOOIFLNYAIZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-9-11(10(2)15(14-9)6-7-16)8-12-4-5-13-19(3,17)18/h12-13,16H,4-8H2,1-3H3.
What are the key properties of N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide?
N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 49463518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).