[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol

C10H14ClNO3S2 — CID 103100198

IUPAC[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCC(CO)C2)sc1Cl
InChIInChI=1S/C10H14ClNO3S2/c1-7-4-9(16-10(7)11)17(14,15)12-3-2-8(5-12)6-13/h4,8,13H,2-3,5-6H2,1H3
InChIKeyDKXNREMHJZWWLY-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.71
Rot. Bonds3

About [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol

[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 103100198) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID103100198
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCC(CO)C2)sc1Cl
InChIInChI=1S/C10H14ClNO3S2/c1-7-4-9(16-10(7)11)17(14,15)12-3-2-8(5-12)6-13/h4,8,13H,2-3,5-6H2,1H3
InChIKeyDKXNREMHJZWWLY-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
ethyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 103100561
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
[5-(3-ethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanamine
CID 113419419
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine
CID 99858914
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 80577698

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol (CID 103100198) is [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol is Cc1cc(S(=O)(=O)N2CCC(CO)C2)sc1Cl.
What is the InChIKey of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is DKXNREMHJZWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-7-4-9(16-10(7)11)17(14,15)12-3-2-8(5-12)6-13/h4,8,13H,2-3,5-6H2,1H3.
What are the key properties of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol?
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 295.81 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 103100198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).