N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide

C14H23N3O3S — CID 43629125

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H23N3O3S/c1-12-5-2-3-9-17(12)10-4-8-16-21(19,20)13-6-7-14(18)15-11-13/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,15,18)
InChIKeyQQHWPBMDRWGNNS-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.92
Rot. Bonds6

About N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629125) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629125
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC1CCCCN1CCCNS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H23N3O3S/c1-12-5-2-3-9-17(12)10-4-8-16-21(19,20)13-6-7-14(18)15-11-13/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,15,18)
InChIKeyQQHWPBMDRWGNNS-UHFFFAOYSA-N
XLogP0.92
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 43629125) is N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide is CC1CCCCN1CCCNS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is QQHWPBMDRWGNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-5-2-3-9-17(12)10-4-8-16-21(19,20)13-6-7-14(18)15-11-13/h6-7,11-12,16H,2-5,8-10H2,1H3,(H,15,18).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).