N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide

C11H18N4O2S — CID 55147573

IUPACN-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccncc2N)CC1
InChIInChI=1S/C11H18N4O2S/c1-9-3-6-15(7-4-9)18(16,17)14-11-2-5-13-8-10(11)12/h2,5,8-9H,3-4,6-7,12H2,1H3,(H,13,14)
InChIKeyCQKYXHDOMQAPOX-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.05
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide

N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 55147573) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
PubChem CID55147573
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccncc2N)CC1
InChIInChI=1S/C11H18N4O2S/c1-9-3-6-15(7-4-9)18(16,17)14-11-2-5-13-8-10(11)12/h2,5,8-9H,3-4,6-7,12H2,1H3,(H,13,14)
InChIKeyCQKYXHDOMQAPOX-UHFFFAOYSA-N
XLogP1.05
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide (CID 55147573) is N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccncc2N)CC1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is CQKYXHDOMQAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-3-6-15(7-4-9)18(16,17)14-11-2-5-13-8-10(11)12/h2,5,8-9H,3-4,6-7,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide?
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 55147573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).