1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide

C10H16N4O2S — CID 104626600

IUPAC1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C10H16N4O2S/c1-3-10(8-11)17(15,16)12-6-4-9-5-7-14(2)13-9/h5,7,10,12H,3-4,6H2,1-2H3
InChIKeyISOLCBQRUCAYMH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.18
Rot. Bonds6

About 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide

1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 104626600) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide
PubChem CID104626600
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCCc1ccn(C)n1
InChIInChI=1S/C10H16N4O2S/c1-3-10(8-11)17(15,16)12-6-4-9-5-7-14(2)13-9/h5,7,10,12H,3-4,6H2,1-2H3
InChIKeyISOLCBQRUCAYMH-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-3-yl)ethyl]ethanesulfonamide
CID 104626606
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106106302
3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
2-ethylsulfonyl-N-[2-(1-methylpyrazol-3-yl)ethyl]aniline
CID 102846547
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103895
2-ethylsulfanyl-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106105144
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
4-amino-2,6-dibromo-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103937
2-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 106105497
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide (CID 104626600) is 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCCc1ccn(C)n1.
What is the InChIKey of 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is ISOLCBQRUCAYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-10(8-11)17(15,16)12-6-4-9-5-7-14(2)13-9/h5,7,10,12H,3-4,6H2,1-2H3.
What are the key properties of 1-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]propane-1-sulfonamide?
1-cyano-N-[2-(1-methylpyrazol-3-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-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 104626600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).