1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide

C9H18N4O2S — CID 106016143

IUPAC1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H18N4O2S/c1-3-10-4-8(2)16(14,15)13-7-9-5-11-12-6-9/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,11,12)
InChIKeySUJNPWVHVPTIEH-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.17
Rot. Bonds7

About 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide

1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide (PubChem CID 106016143) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
PubChem CID106016143
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H18N4O2S/c1-3-10-4-8(2)16(14,15)13-7-9-5-11-12-6-9/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,11,12)
InChIKeySUJNPWVHVPTIEH-UHFFFAOYSA-N
XLogP-0.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
CID 61458135
1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
CID 114141265
N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045
1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
CID 106072908
4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide (CID 106016143) is 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
The InChIKey is SUJNPWVHVPTIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-10-4-8(2)16(14,15)13-7-9-5-11-12-6-9/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,11,12).
What are the key properties of 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide?
1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 106016143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).