4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride

C12H20ClN3O3S — CID 68998550

IUPAC4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride
SMILESCC1CC(N)C(O)CN(S(=O)(=O)c2ccccn2)C1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9-6-10(13)11(16)8-15(7-9)19(17,18)12-4-2-3-5-14-12;/h2-5,9-11,16H,6-8,13H2,1H3;1H
InChIKeyLZZOVHKZBWOBND-UHFFFAOYSA-N
MW321.83 g/mol
LogP0.22
Rot. Bonds2

About 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride

4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride (PubChem CID 68998550) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride
PubChem CID68998550
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride
SMILESCC1CC(N)C(O)CN(S(=O)(=O)c2ccccn2)C1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-9-6-10(13)11(16)8-15(7-9)19(17,18)12-4-2-3-5-14-12;/h2-5,9-11,16H,6-8,13H2,1H3;1H
InChIKeyLZZOVHKZBWOBND-UHFFFAOYSA-N
XLogP0.22
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 177300179
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
3-(3,5-dimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 106596381
2,2-dimethyl-1-pyridin-2-ylsulfonylpyrrolidin-3-amine
CID 115275215
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 107213209
N-cyclohexyl-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 41071233
N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 141047356
cyclobutane;pyridine-2-sulfonamide
CID 175429056

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride?
The IUPAC name of 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride (CID 68998550) is 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride.
What is the SMILES notation for 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride?
The canonical SMILES for 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride is CC1CC(N)C(O)CN(S(=O)(=O)c2ccccn2)C1.Cl.
What is the InChIKey of 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride?
The InChIKey is LZZOVHKZBWOBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-9-6-10(13)11(16)8-15(7-9)19(17,18)12-4-2-3-5-14-12;/h2-5,9-11,16H,6-8,13H2,1H3;1H.
What are the key properties of 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride?
4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol;hydrochloride is sourced from PubChem (CID 68998550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).