N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide

C11H22N4O2S — CID 49463500

IUPACN-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCC(C)(C)c1[nH]ncc1CNCCNS(C)(=O)=O
InChIInChI=1S/C11H22N4O2S/c1-11(2,3)10-9(8-13-15-10)7-12-5-6-14-18(4,16)17/h8,12,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyPZPZPLKNSIQSLT-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.35
Rot. Bonds6

About N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 49463500) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide
PubChem CID49463500
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCC(C)(C)c1[nH]ncc1CNCCNS(C)(=O)=O
InChIInChI=1S/C11H22N4O2S/c1-11(2,3)10-9(8-13-15-10)7-12-5-6-14-18(4,16)17/h8,12,14H,5-7H2,1-4H3,(H,13,15)
InChIKeyPZPZPLKNSIQSLT-UHFFFAOYSA-N
XLogP0.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide (CID 49463500) is N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide is CC(C)(C)c1[nH]ncc1CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is PZPZPLKNSIQSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-11(2,3)10-9(8-13-15-10)7-12-5-6-14-18(4,16)17/h8,12,14H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 49463500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).