N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide

C13H21N3O3S — CID 43550340

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCc2cc(N)ccc2O)CC1
InChIInChI=1S/C13H21N3O3S/c1-10-4-6-16(7-5-10)20(18,19)15-9-11-8-12(14)2-3-13(11)17/h2-3,8,10,15,17H,4-7,9,14H2,1H3
InChIKeyKBQVYKKWHHBKHS-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.04
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide

N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 43550340) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
PubChem CID43550340
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCc2cc(N)ccc2O)CC1
InChIInChI=1S/C13H21N3O3S/c1-10-4-6-16(7-5-10)20(18,19)15-9-11-8-12(14)2-3-13(11)17/h2-3,8,10,15,17H,4-7,9,14H2,1H3
InChIKeyKBQVYKKWHHBKHS-UHFFFAOYSA-N
XLogP1.04
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
4-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386114
N-[(5-amino-2-hydroxyphenyl)methyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465490
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
CID 81325159
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
CID 169029487
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 43550344
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(4-cyano-3-propylphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 177223077
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009
N-(5-amino-2-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 43144684

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide (CID 43550340) is N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCc2cc(N)ccc2O)CC1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is KBQVYKKWHHBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-4-6-16(7-5-10)20(18,19)15-9-11-8-12(14)2-3-13(11)17/h2-3,8,10,15,17H,4-7,9,14H2,1H3.
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43550340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).