5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide

C15H25N3O3S — CID 164630433

IUPAC5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide
SMILESCc1cncc(S(=O)(=O)NCCCN2CCCO[C@@H](C)C2)c1
InChIInChI=1S/C15H25N3O3S/c1-13-9-15(11-16-10-13)22(19,20)17-5-3-6-18-7-4-8-21-14(2)12-18/h9-11,14,17H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyLRNOCZRZCYJORK-AWEZNQCLSA-N
MW327.45 g/mol
LogP1.17
Rot. Bonds6

About 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide

5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide (PubChem CID 164630433) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide
PubChem CID164630433
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide
SMILESCc1cncc(S(=O)(=O)NCCCN2CCCO[C@@H](C)C2)c1
InChIInChI=1S/C15H25N3O3S/c1-13-9-15(11-16-10-13)22(19,20)17-5-3-6-18-7-4-8-21-14(2)12-18/h9-11,14,17H,3-8,12H2,1-2H3/t14-/m0/s1
InChIKeyLRNOCZRZCYJORK-AWEZNQCLSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide?
The IUPAC name of 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide (CID 164630433) is 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide is Cc1cncc(S(=O)(=O)NCCCN2CCCO[C@@H](C)C2)c1.
What is the InChIKey of 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide?
The InChIKey is LRNOCZRZCYJORK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-13-9-15(11-16-10-13)22(19,20)17-5-3-6-18-7-4-8-21-14(2)12-18/h9-11,14,17H,3-8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide?
5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164630433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).