1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol

C11H16ClNO3S2 — CID 103100234

IUPAC1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)c2cc(C)c(Cl)s2)C1
InChIInChI=1S/C11H16ClNO3S2/c1-3-4-11(14)6-13(7-11)18(15,16)9-5-8(2)10(12)17-9/h5,14H,3-4,6-7H2,1-2H3
InChIKeySSBDBTREJYCDGL-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.25
Rot. Bonds4

About 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol (PubChem CID 103100234) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
PubChem CID103100234
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(S(=O)(=O)c2cc(C)c(Cl)s2)C1
InChIInChI=1S/C11H16ClNO3S2/c1-3-4-11(14)6-13(7-11)18(15,16)9-5-8(2)10(12)17-9/h5,14H,3-4,6-7H2,1-2H3
InChIKeySSBDBTREJYCDGL-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Propyl-1-thiophen-2-ylsulfonylazetidin-3-ol
CID 65928949
1-(5-Chlorothiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
CID 65930189
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-3-ethylazetidin-3-ol
CID 65930861
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-3-propylazetidin-3-ol
CID 65931036
3-Cyclopropyl-1-(2,5-dichlorothiophen-3-yl)sulfonylazetidin-3-ol
CID 65934550
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 65934732
1-(5-Chlorothiophen-2-yl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 65935342
1-(5-Chlorothiophen-2-yl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 65935518
1-(5-Chlorothiophen-2-yl)sulfonyl-3-methylazetidin-3-ol
CID 65951736
1-(2,5-Dichlorothiophen-3-yl)sulfonyl-3-methylazetidin-3-ol
CID 65952409
1-(5-Chlorothiophen-2-yl)sulfonyl-3-ethylazetidin-3-ol
CID 65953458
1-(5-Bromo-4-chlorothiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
CID 80577971

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol (CID 103100234) is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol is CCCC1(O)CN(S(=O)(=O)c2cc(C)c(Cl)s2)C1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol?
The InChIKey is SSBDBTREJYCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-3-4-11(14)6-13(7-11)18(15,16)9-5-8(2)10(12)17-9/h5,14H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol?
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol has a molecular weight of 309.84 g/mol, XLogP of 2.25, 4 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)sulfonyl-3-propylazetidin-3-ol is sourced from PubChem (CID 103100234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).