[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol

C14H22N2O3S — CID 102789177

IUPAC[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-15-12-4-6-13(7-5-12)20(18,19)16-9-8-11(2)14(16)10-17/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyYPEZEFAELDOFLY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds5

About [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol

[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789177) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789177
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-15-12-4-6-13(7-5-12)20(18,19)16-9-8-11(2)14(16)10-17/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyYPEZEFAELDOFLY-UHFFFAOYSA-N
XLogP1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid
CID 102778354
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 102786347
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 63604777
[1-(4-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786207
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318

Frequently Asked Questions

What is the IUPAC name of [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol (CID 102789177) is [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol is CCNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cc1.
What is the InChIKey of [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is YPEZEFAELDOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-15-12-4-6-13(7-5-12)20(18,19)16-9-8-11(2)14(16)10-17/h4-7,11,14-15,17H,3,8-10H2,1-2H3.
What are the key properties of [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol?
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).