4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide

C17H23N5O3S — CID 72899174

IUPAC4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(N2CCC(NCc3ccc(S(N)(=O)=O)cc3)CC2)ncn1
InChIInChI=1S/C17H23N5O3S/c1-25-17-10-16(20-12-21-17)22-8-6-14(7-9-22)19-11-13-2-4-15(5-3-13)26(18,23)24/h2-5,10,12,14,19H,6-9,11H2,1H3,(H2,18,23,24)
InChIKeyRENUPIIHZRHCNV-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.89
Rot. Bonds6

About 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide

4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide (PubChem CID 72899174) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide
PubChem CID72899174
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(N2CCC(NCc3ccc(S(N)(=O)=O)cc3)CC2)ncn1
InChIInChI=1S/C17H23N5O3S/c1-25-17-10-16(20-12-21-17)22-8-6-14(7-9-22)19-11-13-2-4-15(5-3-13)26(18,23)24/h2-5,10,12,14,19H,6-9,11H2,1H3,(H2,18,23,24)
InChIKeyRENUPIIHZRHCNV-UHFFFAOYSA-N
XLogP0.89
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide
CID 72848257
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
4-aminobenzenesulfonamide;4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 174885435
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
1-(4-methoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 24732713
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]benzenesulfonamide
CID 106658015
N-[2-(4-sulfamoylphenyl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600312
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide (CID 72899174) is 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide is COc1cc(N2CCC(NCc3ccc(S(N)(=O)=O)cc3)CC2)ncn1.
What is the InChIKey of 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide?
The InChIKey is RENUPIIHZRHCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-25-17-10-16(20-12-21-17)22-8-6-14(7-9-22)19-11-13-2-4-15(5-3-13)26(18,23)24/h2-5,10,12,14,19H,6-9,11H2,1H3,(H2,18,23,24).
What are the key properties of 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide?
4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 72899174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).