N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide

C14H22N4O2S — CID 104878529

IUPACN-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
SMILESCCn1nc(CNCCCNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C14H22N4O2S/c1-3-18-14-8-5-4-7-12(14)13(17-18)11-15-9-6-10-16-21(2,19)20/h4-5,7-8,15-16H,3,6,9-11H2,1-2H3
InChIKeyXXVPNZXXELVFAB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.09
Rot. Bonds8

About N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide

N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide (PubChem CID 104878529) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
PubChem CID104878529
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
SMILESCCn1nc(CNCCCNS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C14H22N4O2S/c1-3-18-14-8-5-4-7-12(14)13(17-18)11-15-9-6-10-16-21(2,19)20/h4-5,7-8,15-16H,3,6,9-11H2,1-2H3
InChIKeyXXVPNZXXELVFAB-UHFFFAOYSA-N
XLogP1.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.09
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-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91841182
N-[(1-ethylindazol-3-yl)methyl]-5-methoxypentan-1-amine
CID 104878924
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
CID 104879529
N-[(1-methylindazol-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 63378560
1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 104879569
N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide
CID 106336236
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
N-[3-[(3-methyl-2-pyridinyl)methylamino]propyl]methanesulfonamide
CID 106336628
N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine
CID 79591303
N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955473
2-chloro-N-[(1-ethylindazol-3-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107155595

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide (CID 104878529) is N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide is CCn1nc(CNCCCNS(C)(=O)=O)c2ccccc21.
What is the InChIKey of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is XXVPNZXXELVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-18-14-8-5-4-7-12(14)13(17-18)11-15-9-6-10-16-21(2,19)20/h4-5,7-8,15-16H,3,6,9-11H2,1-2H3.
What are the key properties of N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 104878529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).