5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride

C17H25Cl2N3O2S — CID 164628908

IUPAC5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride
SMILESCN1CCC(CNS(=O)(=O)c2cccc3c(N)cccc23)CC1.Cl.Cl
InChIInChI=1S/C17H23N3O2S.2ClH/c1-20-10-8-13(9-11-20)12-19-23(21,22)17-7-3-4-14-15(17)5-2-6-16(14)18;;/h2-7,13,19H,8-12,18H2,1H3;2*1H
InChIKeyGETNXSSZAXLAHC-UHFFFAOYSA-N
MW406.38 g/mol
LogP2.89
Rot. Bonds4

About 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride

5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride (PubChem CID 164628908) has the molecular formula C17H25Cl2N3O2S and a molecular weight of 406.38 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride
PubChem CID164628908
Molecular FormulaC17H25Cl2N3O2S
Molecular Weight406.38 g/mol
Exact Mass405.10
IUPAC Name5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride
SMILESCN1CCC(CNS(=O)(=O)c2cccc3c(N)cccc23)CC1.Cl.Cl
InChIInChI=1S/C17H23N3O2S.2ClH/c1-20-10-8-13(9-11-20)12-19-23(21,22)17-7-3-4-14-15(17)5-2-6-16(14)18;;/h2-7,13,19H,8-12,18H2,1H3;2*1H
InChIKeyGETNXSSZAXLAHC-UHFFFAOYSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride?
The IUPAC name of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride (CID 164628908) is 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride is CN1CCC(CNS(=O)(=O)c2cccc3c(N)cccc23)CC1.Cl.Cl.
What is the InChIKey of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride?
The InChIKey is GETNXSSZAXLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.2ClH/c1-20-10-8-13(9-11-20)12-19-23(21,22)17-7-3-4-14-15(17)5-2-6-16(14)18;;/h2-7,13,19H,8-12,18H2,1H3;2*1H.
What are the key properties of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride?
5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride has a molecular weight of 406.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]naphthalene-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 164628908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).