[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol

C15H23NO3S2 — CID 102749931

IUPAC[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C15H23NO3S2/c1-11-10-20-14(9-17)15(11)21(18,19)16-8-4-7-13(16)12-5-2-3-6-12/h10,12-13,17H,2-9H2,1H3
InChIKeyWIDGOZUGEVPUSL-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.89
Rot. Bonds4

About [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol

[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol (PubChem CID 102749931) has the molecular formula C15H23NO3S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol
PubChem CID102749931
Molecular FormulaC15H23NO3S2
Molecular Weight329.49 g/mol
Exact Mass329.11
IUPAC Name[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol
SMILESCc1csc(CO)c1S(=O)(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C15H23NO3S2/c1-11-10-20-14(9-17)15(11)21(18,19)16-8-4-7-13(16)12-5-2-3-6-12/h10,12-13,17H,2-9H2,1H3
InChIKeyWIDGOZUGEVPUSL-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-4-methylthiophen-2-yl]methanol
CID 102750103
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
[4-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102750119
[3-[3-(dimethylamino)piperidin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102750121
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749830
[4-methyl-3-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methanol
CID 102749710
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol
CID 102750275
N-(cyclohexylmethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749832
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-dimethylaniline
CID 82751740
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2,4-dimethylaniline
CID 65319389

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol?
The IUPAC name of [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol (CID 102749931) is [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol.
What is the SMILES notation for [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol?
The canonical SMILES for [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol is Cc1csc(CO)c1S(=O)(=O)N1CCCC1C1CCCC1.
What is the InChIKey of [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol?
The InChIKey is WIDGOZUGEVPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S2/c1-11-10-20-14(9-17)15(11)21(18,19)16-8-4-7-13(16)12-5-2-3-6-12/h10,12-13,17H,2-9H2,1H3.
What are the key properties of [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol?
[3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol has a molecular weight of 329.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopentylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanol is sourced from PubChem (CID 102749931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).