N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide

C7H14N2O3S — CID 130660272

IUPACN-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(10)8-3-7-4-9(5-7)13(2,11)12/h7H,3-5H2,1-2H3,(H,8,10)
InChIKeyKRVPNCBDTBFKOV-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.99
Rot. Bonds3

About N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide

N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide (PubChem CID 130660272) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide
PubChem CID130660272
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(10)8-3-7-4-9(5-7)13(2,11)12/h7H,3-5H2,1-2H3,(H,8,10)
InChIKeyKRVPNCBDTBFKOV-UHFFFAOYSA-N
XLogP-0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide?
The IUPAC name of N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide (CID 130660272) is N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide is CC(=O)NCC1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide?
The InChIKey is KRVPNCBDTBFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-6(10)8-3-7-4-9(5-7)13(2,11)12/h7H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide?
N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide has a molecular weight of 206.27 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 130660272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).