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

C12H24N4O2S — CID 106085796

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C12H24N4O2S/c1-4-7-13-10-11(2)19(17,18)15-9-6-12-5-8-14-16(12)3/h5,8,11,13,15H,4,6-7,9-10H2,1-3H3
InChIKeyAGMKIHLCSQONOF-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.27
Rot. Bonds9

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

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide (PubChem CID 106085796) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
PubChem CID106085796
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C12H24N4O2S/c1-4-7-13-10-11(2)19(17,18)15-9-6-12-5-8-14-16(12)3/h5,8,11,13,15H,4,6-7,9-10H2,1-3H3
InChIKeyAGMKIHLCSQONOF-UHFFFAOYSA-N
XLogP0.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 114168416
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106085775
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
1-(propylamino)-N-(pyrimidin-4-ylmethyl)propane-2-sulfonamide
CID 106092643
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456
N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide (CID 106085796) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NCCc1ccnn1C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide?
The InChIKey is AGMKIHLCSQONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-4-7-13-10-11(2)19(17,18)15-9-6-12-5-8-14-16(12)3/h5,8,11,13,15H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106085796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).