3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide

C9H18N4O2S — CID 106757728

IUPAC3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
SMILESCC(NCCCS(N)(=O)=O)c1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-8(9-4-6-12-13(9)2)11-5-3-7-16(10,14)15/h4,6,8,11H,3,5,7H2,1-2H3,(H2,10,14,15)
InChIKeyDTNORLBEYOFGRS-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.25
Rot. Bonds6

About 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide

3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide (PubChem CID 106757728) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
PubChem CID106757728
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
SMILESCC(NCCCS(N)(=O)=O)c1ccnn1C
InChIInChI=1S/C9H18N4O2S/c1-8(9-4-6-12-13(9)2)11-5-3-7-16(10,14)15/h4,6,8,11H,3,5,7H2,1-2H3,(H2,10,14,15)
InChIKeyDTNORLBEYOFGRS-UHFFFAOYSA-N
XLogP-0.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.25
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

N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756945
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide?
The IUPAC name of 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide (CID 106757728) is 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide.
What is the SMILES notation for 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide?
The canonical SMILES for 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide is CC(NCCCS(N)(=O)=O)c1ccnn1C.
What is the InChIKey of 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide?
The InChIKey is DTNORLBEYOFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-8(9-4-6-12-13(9)2)11-5-3-7-16(10,14)15/h4,6,8,11H,3,5,7H2,1-2H3,(H2,10,14,15).
What are the key properties of 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide?
3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide is sourced from PubChem (CID 106757728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).