1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide

C10H16N4O2S — CID 80682915

IUPAC1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H16N4O2S/c1-3-10(6-11)17(15,16)13-5-4-9-7-12-14(2)8-9/h7-8,10,13H,3-5H2,1-2H3
InChIKeyWAGSCWOWJOAKMN-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.18
Rot. Bonds6

About 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide

1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 80682915) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
PubChem CID80682915
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H16N4O2S/c1-3-10(6-11)17(15,16)13-5-4-9-7-12-14(2)8-9/h7-8,10,13H,3-5H2,1-2H3
InChIKeyWAGSCWOWJOAKMN-UHFFFAOYSA-N
XLogP0.18
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106268698
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 114135274
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106073600
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide (CID 80682915) is 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCCc1cnn(C)c1.
What is the InChIKey of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is WAGSCWOWJOAKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-10(6-11)17(15,16)13-5-4-9-7-12-14(2)8-9/h7-8,10,13H,3-5H2,1-2H3.
What are the key properties of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 80682915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).