N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide

C12H18N4O2S — CID 119109884

IUPACN-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H18N4O2S/c1-19(17,18)15-6-2-5-13-8-10-3-4-11-9-14-16-12(11)7-10/h3-4,7,9,13,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyCUUFGXLRXPGLJE-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.59
Rot. Bonds7

About N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide

N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide (PubChem CID 119109884) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
PubChem CID119109884
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H18N4O2S/c1-19(17,18)15-6-2-5-13-8-10-3-4-11-9-14-16-12(11)7-10/h3-4,7,9,13,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyCUUFGXLRXPGLJE-UHFFFAOYSA-N
XLogP0.59
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
CID 106336342
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
N,N-diethyl-5-[2-(1H-indazol-6-ylmethylamino)ethyl]thiophene-2-sulfonamide
CID 119122068
N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
CID 112688761
4-(4-benzylpiperazin-1-yl)-N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 119110136
N-[3-(1H-pyrrol-3-ylmethylamino)propyl]methanesulfonamide
CID 115686088

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide (CID 119109884) is N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1ccc2cn[nH]c2c1.
What is the InChIKey of N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide?
The InChIKey is CUUFGXLRXPGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-19(17,18)15-6-2-5-13-8-10-3-4-11-9-14-16-12(11)7-10/h3-4,7,9,13,15H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide?
N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 119109884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).