[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine

C17H25ClN2O3S — CID 120708033

IUPAC[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C17H25ClN2O3S/c18-14-7-8-16(23-12-13-4-3-5-13)17(10-14)24(21,22)20-9-2-1-6-15(20)11-19/h7-8,10,13,15H,1-6,9,11-12,19H2
InChIKeyQSVIQIKZFIPTCR-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.02
Rot. Bonds6

About [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine

[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine (PubChem CID 120708033) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine
PubChem CID120708033
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C17H25ClN2O3S/c18-14-7-8-16(23-12-13-4-3-5-13)17(10-14)24(21,22)20-9-2-1-6-15(20)11-19/h7-8,10,13,15H,1-6,9,11-12,19H2
InChIKeyQSVIQIKZFIPTCR-UHFFFAOYSA-N
XLogP3.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711707
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonyl-1,4-diazepane
CID 120707063
N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120706224
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60956507
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
[1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352807
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708475
N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120713028

Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine (CID 120708033) is [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine is NCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine?
The InChIKey is QSVIQIKZFIPTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c18-14-7-8-16(23-12-13-4-3-5-13)17(10-14)24(21,22)20-9-2-1-6-15(20)11-19/h7-8,10,13,15H,1-6,9,11-12,19H2.
What are the key properties of [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine?
[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine has a molecular weight of 372.92 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 120708033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).