(1-methylsulfonylazetidin-3-yl)carbamic acid

C5H10N2O4S — CID 146452711

IUPAC(1-methylsulfonylazetidin-3-yl)carbamic acid
SMILESCS(=O)(=O)N1CC(NC(=O)O)C1
InChIInChI=1S/C5H10N2O4S/c1-12(10,11)7-2-4(3-7)6-5(8)9/h4,6H,2-3H2,1H3,(H,8,9)
InChIKeyTUXITRYRTCWHRC-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.10
Rot. Bonds2

About (1-methylsulfonylazetidin-3-yl)carbamic acid

(1-methylsulfonylazetidin-3-yl)carbamic acid (PubChem CID 146452711) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is (1-methylsulfonylazetidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-methylsulfonylazetidin-3-yl)carbamic acid
PubChem CID146452711
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name(1-methylsulfonylazetidin-3-yl)carbamic acid
SMILESCS(=O)(=O)N1CC(NC(=O)O)C1
InChIInChI=1S/C5H10N2O4S/c1-12(10,11)7-2-4(3-7)6-5(8)9/h4,6H,2-3H2,1H3,(H,8,9)
InChIKeyTUXITRYRTCWHRC-UHFFFAOYSA-N
XLogP-1.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylazetidin-3-yl)carbamic acid?
The IUPAC name of (1-methylsulfonylazetidin-3-yl)carbamic acid (CID 146452711) is (1-methylsulfonylazetidin-3-yl)carbamic acid.
What is the SMILES notation for (1-methylsulfonylazetidin-3-yl)carbamic acid?
The canonical SMILES for (1-methylsulfonylazetidin-3-yl)carbamic acid is CS(=O)(=O)N1CC(NC(=O)O)C1.
What is the InChIKey of (1-methylsulfonylazetidin-3-yl)carbamic acid?
The InChIKey is TUXITRYRTCWHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-12(10,11)7-2-4(3-7)6-5(8)9/h4,6H,2-3H2,1H3,(H,8,9).
What are the key properties of (1-methylsulfonylazetidin-3-yl)carbamic acid?
(1-methylsulfonylazetidin-3-yl)carbamic acid has a molecular weight of 194.21 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylazetidin-3-yl)carbamic acid is sourced from PubChem (CID 146452711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).