N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide

C10H20N4O2S — CID 107093548

IUPACN-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)c1ccnn1C
InChIInChI=1S/C10H20N4O2S/c1-9(10-5-8-12-14(10)2)11-6-4-7-13-17(3,15)16/h5,8-9,11,13H,4,6-7H2,1-3H3
InChIKeyOKYMGQPOYDJTLS-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.01
Rot. Bonds7

About N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide

N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide (PubChem CID 107093548) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
PubChem CID107093548
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
SMILESCC(NCCCNS(C)(=O)=O)c1ccnn1C
InChIInChI=1S/C10H20N4O2S/c1-9(10-5-8-12-14(10)2)11-6-4-7-13-17(3,15)16/h5,8-9,11,13H,4,6-7H2,1-3H3
InChIKeyOKYMGQPOYDJTLS-UHFFFAOYSA-N
XLogP0.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.01
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

3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
CID 106757728
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
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'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
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
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
N-[3-[1-(4-methylphenyl)ethylamino]propyl]methanesulfonamide
CID 113260022
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide (CID 107093548) is N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide is CC(NCCCNS(C)(=O)=O)c1ccnn1C.
What is the InChIKey of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide?
The InChIKey is OKYMGQPOYDJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(10-5-8-12-14(10)2)11-6-4-7-13-17(3,15)16/h5,8-9,11,13H,4,6-7H2,1-3H3.
What are the key properties of N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide?
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide is sourced from PubChem (CID 107093548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).