5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole

C10H17N3O4S2 — CID 90594378

IUPAC5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C10H17N3O4S2/c1-8(2)6-18(14,15)9-4-13(5-9)19(16,17)10-3-11-7-12-10/h3,7-9H,4-6H2,1-2H3,(H,11,12)
InChIKeyZMQPVEGJDQQHRS-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.15
Rot. Bonds5

About 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole

5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole (PubChem CID 90594378) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole
PubChem CID90594378
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C10H17N3O4S2/c1-8(2)6-18(14,15)9-4-13(5-9)19(16,17)10-3-11-7-12-10/h3,7-9H,4-6H2,1-2H3,(H,11,12)
InChIKeyZMQPVEGJDQQHRS-UHFFFAOYSA-N
XLogP-0.15
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole?
The IUPAC name of 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole (CID 90594378) is 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole.
What is the SMILES notation for 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole?
The canonical SMILES for 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole is CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole?
The InChIKey is ZMQPVEGJDQQHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-8(2)6-18(14,15)9-4-13(5-9)19(16,17)10-3-11-7-12-10/h3,7-9H,4-6H2,1-2H3,(H,11,12).
What are the key properties of 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole?
5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole has a molecular weight of 307.40 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole is sourced from PubChem (CID 90594378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).