[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine

C14H25N3O2S — CID 103504306

IUPAC[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine
SMILESCC(C)C1CCN(S(=O)(=O)c2cc(CN)n(C)c2)CC1
InChIInChI=1S/C14H25N3O2S/c1-11(2)12-4-6-17(7-5-12)20(18,19)14-8-13(9-15)16(3)10-14/h8,10-12H,4-7,9,15H2,1-3H3
InChIKeyRYJSNVOYYIQBCN-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.54
Rot. Bonds4

About [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine

[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine (PubChem CID 103504306) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine
PubChem CID103504306
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine
SMILESCC(C)C1CCN(S(=O)(=O)c2cc(CN)n(C)c2)CC1
InChIInChI=1S/C14H25N3O2S/c1-11(2)12-4-6-17(7-5-12)20(18,19)14-8-13(9-15)16(3)10-14/h8,10-12H,4-7,9,15H2,1-3H3
InChIKeyRYJSNVOYYIQBCN-UHFFFAOYSA-N
XLogP1.54
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504126
[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504140
5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrrol-2-yl]methanamine
CID 66371898
1-[1-(2-chloroethyl)pyrazol-4-yl]sulfonyl-4-propan-2-ylpiperidine
CID 103504216
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
CID 103504117
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrrole-3-sulfonamide
CID 106067674
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 103495203

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine?
The IUPAC name of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine (CID 103504306) is [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine?
The canonical SMILES for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine is CC(C)C1CCN(S(=O)(=O)c2cc(CN)n(C)c2)CC1.
What is the InChIKey of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine?
The InChIKey is RYJSNVOYYIQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)12-4-6-17(7-5-12)20(18,19)14-8-13(9-15)16(3)10-14/h8,10-12H,4-7,9,15H2,1-3H3.
What are the key properties of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine?
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine has a molecular weight of 299.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine is sourced from PubChem (CID 103504306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).