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

C15H26N2O3S — CID 103504140

IUPAC[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
SMILESCCn1cc(S(=O)(=O)N2CCC(C(C)C)CC2)cc1CO
InChIInChI=1S/C15H26N2O3S/c1-4-16-10-15(9-14(16)11-18)21(19,20)17-7-5-13(6-8-17)12(2)3/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyBKIHTJVFOCFKCF-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.06
Rot. Bonds5

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

[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol (PubChem CID 103504140) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
PubChem CID103504140
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol
SMILESCCn1cc(S(=O)(=O)N2CCC(C(C)C)CC2)cc1CO
InChIInChI=1S/C15H26N2O3S/c1-4-16-10-15(9-14(16)11-18)21(19,20)17-7-5-13(6-8-17)12(2)3/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyBKIHTJVFOCFKCF-UHFFFAOYSA-N
XLogP2.06
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.06
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-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine
CID 103504306
[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
CID 103504117
1-ethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644162
[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-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrrol-2-yl]methanamine
CID 66371898
[1-ethyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrol-2-yl]methanamine
CID 114414356
1-ethyl-5-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 82745144
1-[1-ethyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrrol-2-yl]-N-methylmethanamine
CID 114414207
4-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-1-ethylpyrrole-2-carboxylic acid
CID 106668340
1-[1-(2-chloroethyl)pyrazol-4-yl]sulfonyl-4-propan-2-ylpiperidine
CID 103504216

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
The IUPAC name of [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol (CID 103504140) is [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
The canonical SMILES for [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol is CCn1cc(S(=O)(=O)N2CCC(C(C)C)CC2)cc1CO.
What is the InChIKey of [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
The InChIKey is BKIHTJVFOCFKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-16-10-15(9-14(16)11-18)21(19,20)17-7-5-13(6-8-17)12(2)3/h9-10,12-13,18H,4-8,11H2,1-3H3.
What are the key properties of [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol?
[1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol has a molecular weight of 314.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanol is sourced from PubChem (CID 103504140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).