[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine

C11H19N3O3S — CID 112622437

IUPAC[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2cc[nH]c2)C(CN)C1
InChIInChI=1S/C11H19N3O3S/c1-17-10-3-5-14(9(6-10)7-12)18(15,16)11-2-4-13-8-11/h2,4,8-10,13H,3,5-7,12H2,1H3
InChIKeyXWTHARQGALLHFO-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.14
Rot. Bonds4

About [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine

[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 112622437) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
PubChem CID112622437
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2cc[nH]c2)C(CN)C1
InChIInChI=1S/C11H19N3O3S/c1-17-10-3-5-14(9(6-10)7-12)18(15,16)11-2-4-13-8-11/h2,4,8-10,13H,3,5-7,12H2,1H3
InChIKeyXWTHARQGALLHFO-UHFFFAOYSA-N
XLogP0.14
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 112622460
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718928
[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718815
4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120718793
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980
[1-(5-bromo-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718751
[1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718976
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120719012

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine (CID 112622437) is [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine is COC1CCN(S(=O)(=O)c2cc[nH]c2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is XWTHARQGALLHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-17-10-3-5-14(9(6-10)7-12)18(15,16)11-2-4-13-8-11/h2,4,8-10,13H,3,5-7,12H2,1H3.
What are the key properties of [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 273.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).