[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol

C15H24N2O3S2 — CID 71809863

IUPAC[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCCC3CO)CC2)s1
InChIInChI=1S/C15H24N2O3S2/c1-12-4-5-15(21-12)22(19,20)16-9-6-13(7-10-16)17-8-2-3-14(17)11-18/h4-5,13-14,18H,2-3,6-11H2,1H3
InChIKeyQKICTYFMPDUCDL-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.67
Rot. Bonds4

About [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol

[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 71809863) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID71809863
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCCC3CO)CC2)s1
InChIInChI=1S/C15H24N2O3S2/c1-12-4-5-15(21-12)22(19,20)16-9-6-13(7-10-16)17-8-2-3-14(17)11-18/h4-5,13-14,18H,2-3,6-11H2,1H3
InChIKeyQKICTYFMPDUCDL-UHFFFAOYSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 71809864
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
3-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propanoic acid
CID 132970865
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol (CID 71809863) is [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3CO)CC2)s1.
What is the InChIKey of [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QKICTYFMPDUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-12-4-5-15(21-12)22(19,20)16-9-6-13(7-10-16)17-8-2-3-14(17)11-18/h4-5,13-14,18H,2-3,6-11H2,1H3.
What are the key properties of [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 344.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71809863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).