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

C14H24N2O3S — CID 103504126

IUPAC[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
SMILESCC(C)C1CCN(S(=O)(=O)c2cc(CO)n(C)c2)CC1
InChIInChI=1S/C14H24N2O3S/c1-11(2)12-4-6-16(7-5-12)20(18,19)14-8-13(10-17)15(3)9-14/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyBUZBYMIJVHCLNH-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.57
Rot. Bonds4

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

[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol (PubChem CID 103504126) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
PubChem CID103504126
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
SMILESCC(C)C1CCN(S(=O)(=O)c2cc(CO)n(C)c2)CC1
InChIInChI=1S/C14H24N2O3S/c1-11(2)12-4-6-16(7-5-12)20(18,19)14-8-13(10-17)15(3)9-14/h8-9,11-12,17H,4-7,10H2,1-3H3
InChIKeyBUZBYMIJVHCLNH-UHFFFAOYSA-N
XLogP1.57
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.57
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]methanamine
CID 103504306
[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
CID 103504140
[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
CID 103504117
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrol-2-yl]methanol
CID 103541118
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
1-[1-(2-chloroethyl)pyrazol-4-yl]sulfonyl-4-propan-2-ylpiperidine
CID 103504216
3-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 106835672
5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
CID 114135604
2-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 103721169
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
The IUPAC name of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol (CID 103504126) is [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol.
What is the SMILES notation for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
The canonical SMILES for [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol is CC(C)C1CCN(S(=O)(=O)c2cc(CO)n(C)c2)CC1.
What is the InChIKey of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
The InChIKey is BUZBYMIJVHCLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)12-4-6-16(7-5-12)20(18,19)14-8-13(10-17)15(3)9-14/h8-9,11-12,17H,4-7,10H2,1-3H3.
What are the key properties of [1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol has a molecular weight of 300.42 g/mol, XLogP of 1.57, 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]methanol is sourced from PubChem (CID 103504126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).