[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol

C13H22N2O3S — CID 103504117

IUPAC[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
SMILESCC(C)C1CCN(S(=O)(=O)c2c[nH]c(CO)c2)CC1
InChIInChI=1S/C13H22N2O3S/c1-10(2)11-3-5-15(6-4-11)19(17,18)13-7-12(9-16)14-8-13/h7-8,10-11,14,16H,3-6,9H2,1-2H3
InChIKeyWDSHDOHFPOGDRM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds4

About [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol

[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol (PubChem CID 103504117) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
PubChem CID103504117
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol
SMILESCC(C)C1CCN(S(=O)(=O)c2c[nH]c(CO)c2)CC1
InChIInChI=1S/C13H22N2O3S/c1-10(2)11-3-5-15(6-4-11)19(17,18)13-7-12(9-16)14-8-13/h7-8,10-11,14,16H,3-6,9H2,1-2H3
InChIKeyWDSHDOHFPOGDRM-UHFFFAOYSA-N
XLogP1.56
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
CID 113336351
[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
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methyl]ethanamine
CID 115562900
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrrol-2-yl]methanamine
CID 103504306
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 115869488
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
2-[4-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 103721169
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid
CID 63168236

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol?
The IUPAC name of [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol (CID 103504117) is [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol is CC(C)C1CCN(S(=O)(=O)c2c[nH]c(CO)c2)CC1.
What is the InChIKey of [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol?
The InChIKey is WDSHDOHFPOGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)11-3-5-15(6-4-11)19(17,18)13-7-12(9-16)14-8-13/h7-8,10-11,14,16H,3-6,9H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol?
[4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol has a molecular weight of 286.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 103504117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).