[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol

C11H17NO3S2 — CID 79187616

IUPAC[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(CO)s2)CC1C
InChIInChI=1S/C11H17NO3S2/c1-8-5-12(6-9(8)2)17(14,15)11-4-3-10(7-13)16-11/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyHHYWBHXNCUTVIM-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.52
Rot. Bonds3

About [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol

[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol (PubChem CID 79187616) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
PubChem CID79187616
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccc(CO)s2)CC1C
InChIInChI=1S/C11H17NO3S2/c1-8-5-12(6-9(8)2)17(14,15)11-4-3-10(7-13)16-11/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyHHYWBHXNCUTVIM-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187627
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
2-[4-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
CID 110290425
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
2-[5-(2-chloroethyl)thiophen-2-yl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336365
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 81464542
4-(5-ethylthiophen-2-yl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369136

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
The IUPAC name of [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol (CID 79187616) is [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol.
What is the SMILES notation for [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
The canonical SMILES for [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol is CC1CN(S(=O)(=O)c2ccc(CO)s2)CC1C.
What is the InChIKey of [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
The InChIKey is HHYWBHXNCUTVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-8-5-12(6-9(8)2)17(14,15)11-4-3-10(7-13)16-11/h3-4,8-9,13H,5-7H2,1-2H3.
What are the key properties of [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol?
[5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol has a molecular weight of 275.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanol is sourced from PubChem (CID 79187616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).