N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide

C13H24N4O2S — CID 125443004

IUPACN-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide
SMILESCCn1ncc(CN[C@H](C)CNS(=O)(=O)C2CC2)c1C
InChIInChI=1S/C13H24N4O2S/c1-4-17-11(3)12(9-15-17)8-14-10(2)7-16-20(18,19)13-5-6-13/h9-10,13-14,16H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyXAENYGMLOUQVFJ-SNVBAGLBSA-N
MW300.43 g/mol
LogP0.77
Rot. Bonds8

About N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide

N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide (PubChem CID 125443004) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide
PubChem CID125443004
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide
SMILESCCn1ncc(CN[C@H](C)CNS(=O)(=O)C2CC2)c1C
InChIInChI=1S/C13H24N4O2S/c1-4-17-11(3)12(9-15-17)8-14-10(2)7-16-20(18,19)13-5-6-13/h9-10,13-14,16H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyXAENYGMLOUQVFJ-SNVBAGLBSA-N
XLogP0.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide (CID 125443004) is N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide is CCn1ncc(CN[C@H](C)CNS(=O)(=O)C2CC2)c1C.
What is the InChIKey of N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide?
The InChIKey is XAENYGMLOUQVFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-17-11(3)12(9-15-17)8-14-10(2)7-16-20(18,19)13-5-6-13/h9-10,13-14,16H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide?
N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide is sourced from PubChem (CID 125443004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).