N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide

C16H24N4O3S — CID 56914374

IUPACN-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide
SMILESCC(=O)N1CCC(N[C@@H]2CC[C@@H]2NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-12(21)20-9-6-13(7-10-20)18-15-4-5-16(15)19-24(22,23)14-3-2-8-17-11-14/h2-3,8,11,13,15-16,18-19H,4-7,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyQWIRYBXXEHZALI-CVEARBPZSA-N
MW352.46 g/mol
LogP0.49
Rot. Bonds5

About N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide

N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide (PubChem CID 56914374) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide
PubChem CID56914374
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide
SMILESCC(=O)N1CCC(N[C@@H]2CC[C@@H]2NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H24N4O3S/c1-12(21)20-9-6-13(7-10-20)18-15-4-5-16(15)19-24(22,23)14-3-2-8-17-11-14/h2-3,8,11,13,15-16,18-19H,4-7,9-10H2,1H3/t15-,16+/m1/s1
InChIKeyQWIRYBXXEHZALI-CVEARBPZSA-N
XLogP0.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide (CID 56914374) is N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide is CC(=O)N1CCC(N[C@@H]2CC[C@@H]2NS(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide?
The InChIKey is QWIRYBXXEHZALI-CVEARBPZSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-12(21)20-9-6-13(7-10-20)18-15-4-5-16(15)19-24(22,23)14-3-2-8-17-11-14/h2-3,8,11,13,15-16,18-19H,4-7,9-10H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide?
N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]pyridine-3-sulfonamide is sourced from PubChem (CID 56914374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).