[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol

C13H21NO3S2 — CID 102750119

IUPAC[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCCC1C(C)C
InChIInChI=1S/C13H21NO3S2/c1-9(2)11-5-4-6-14(11)19(16,17)13-10(3)8-18-12(13)7-15/h8-9,11,15H,4-7H2,1-3H3
InChIKeyYBZVNSJVPUTTLD-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.36
Rot. Bonds4

About [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol

[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol (PubChem CID 102750119) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
PubChem CID102750119
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCCC1C(C)C
InChIInChI=1S/C13H21NO3S2/c1-9(2)11-5-4-6-14(11)19(16,17)13-10(3)8-18-12(13)7-15/h8-9,11,15H,4-7H2,1-3H3
InChIKeyYBZVNSJVPUTTLD-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749931
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-4-methylthiophen-2-yl]methanol
CID 102750103
[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102749710
[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102750121
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102750440
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751773
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749830
[3-bromo-4-methyl-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
CID 81480631
[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
CID 82879574
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
The IUPAC name of [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol (CID 102750119) is [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
The canonical SMILES for [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol is Cc1csc(CO)c1S(=O)(=O)N1CCCC1C(C)C.
What is the InChIKey of [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
The InChIKey is YBZVNSJVPUTTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-9(2)11-5-4-6-14(11)19(16,17)13-10(3)8-18-12(13)7-15/h8-9,11,15H,4-7H2,1-3H3.
What are the key properties of [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 102750119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).