methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate

C9H17NO7S3 — CID 57476718

IUPACmethylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate
SMILESCS(=O)(=O)OS(=O)(=O)CC1CN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C9H17NO7S3/c1-18(11,12)17-20(15,16)7-9-4-10(5-9)19(13,14)6-8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyHOUKAZNWXRWXND-UHFFFAOYSA-N
MW347.44 g/mol
LogP-1.04
Rot. Bonds7

About methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate

methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate (PubChem CID 57476718) has the molecular formula C9H17NO7S3 and a molecular weight of 347.44 g/mol. Its IUPAC name is methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate.

Molecular Properties

Compound Namemethylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate
PubChem CID57476718
Molecular FormulaC9H17NO7S3
Molecular Weight347.44 g/mol
Exact Mass347.02
IUPAC Namemethylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate
SMILESCS(=O)(=O)OS(=O)(=O)CC1CN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C9H17NO7S3/c1-18(11,12)17-20(15,16)7-9-4-10(5-9)19(13,14)6-8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyHOUKAZNWXRWXND-UHFFFAOYSA-N
XLogP-1.04
TPSA114.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate?
The IUPAC name of methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate (CID 57476718) is methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate.
What is the SMILES notation for methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate?
The canonical SMILES for methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate is CS(=O)(=O)OS(=O)(=O)CC1CN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate?
The InChIKey is HOUKAZNWXRWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO7S3/c1-18(11,12)17-20(15,16)7-9-4-10(5-9)19(13,14)6-8-2-3-8/h8-9H,2-7H2,1H3.
What are the key properties of methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate?
methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate has a molecular weight of 347.44 g/mol, XLogP of -1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate is sourced from PubChem (CID 57476718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).