[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine

C12H21N3O3S — CID 107396205

IUPAC[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
SMILESCOC1(C)CCCN(S(=O)(=O)c2c[nH]c(CN)c2)C1
InChIInChI=1S/C12H21N3O3S/c1-12(18-2)4-3-5-15(9-12)19(16,17)11-6-10(7-13)14-8-11/h6,8,14H,3-5,7,9,13H2,1-2H3
InChIKeyGUOJLEWTSXMLMR-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.66
Rot. Bonds4

About [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine

[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine (PubChem CID 107396205) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
PubChem CID107396205
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
SMILESCOC1(C)CCCN(S(=O)(=O)c2c[nH]c(CN)c2)C1
InChIInChI=1S/C12H21N3O3S/c1-12(18-2)4-3-5-15(9-12)19(16,17)11-6-10(7-13)14-8-11/h6,8,14H,3-5,7,9,13H2,1-2H3
InChIKeyGUOJLEWTSXMLMR-UHFFFAOYSA-N
XLogP0.66
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 107396073
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304
4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107390951
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107396221
[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 107393383
3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390417
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine
CID 107392208
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
CID 107393856
1-[5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylfuran-2-yl]-N-methylmethanamine
CID 107396218

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine?
The IUPAC name of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine (CID 107396205) is [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine.
What is the SMILES notation for [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine?
The canonical SMILES for [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine is COC1(C)CCCN(S(=O)(=O)c2c[nH]c(CN)c2)C1.
What is the InChIKey of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine?
The InChIKey is GUOJLEWTSXMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(18-2)4-3-5-15(9-12)19(16,17)11-6-10(7-13)14-8-11/h6,8,14H,3-5,7,9,13H2,1-2H3.
What are the key properties of [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine?
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine is sourced from PubChem (CID 107396205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).