2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid

C11H19NO4S — CID 64617034

IUPAC2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H19NO4S/c13-11(14)6-9-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14)
InChIKeyGAZSMWWZWUSAQW-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.06
Rot. Bonds4

About 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid

2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid (PubChem CID 64617034) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid
PubChem CID64617034
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H19NO4S/c13-11(14)6-9-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14)
InChIKeyGAZSMWWZWUSAQW-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid (CID 64617034) is 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid is O=C(O)CC1CN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid?
The InChIKey is GAZSMWWZWUSAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(14)6-9-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid?
2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid has a molecular weight of 261.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylsulfonylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64617034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).