N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide

C7H14N2O3S — CID 59268329

IUPACN-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
SMILESCC(=O)N1CC(CNS(C)(=O)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(10)9-4-7(5-9)3-8-13(2,11)12/h7-8H,3-5H2,1-2H3
InChIKeySMRRZIUNIKCJKZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.99
Rot. Bonds3

About N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide

N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide (PubChem CID 59268329) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
PubChem CID59268329
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
SMILESCC(=O)N1CC(CNS(C)(=O)=O)C1
InChIInChI=1S/C7H14N2O3S/c1-6(10)9-4-7(5-9)3-8-13(2,11)12/h7-8H,3-5H2,1-2H3
InChIKeySMRRZIUNIKCJKZ-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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Related Compounds

1-(methylsulfonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 71785531
N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]methanesulfonamide
CID 164729663
1-(Methylsulfonyl)azetidine-3-carboxamide
CID 71785510
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045
N-(1-acetylazetidin-3-yl)methanesulfonamide
CID 118370545
N-methanesulfonylazetidine-3-carboxamide
CID 118541363
N-[2-(methanesulfonamido)ethyl]azetidine-3-carboxamide;hydrochloride
CID 120306639
Molecular hydrogen;1-[3-[(sulfanylamino)methyl]azetidin-1-yl]ethanone
CID 153349373
N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]acetamide
CID 155154970
1-[2-(Methanesulfonamido)acetyl]azetidine-3-carboxamide
CID 162460101
1-(3-Sulfamoylpropanoyl)azetidine-3-carboxamide
CID 162460104
1-[3-(Methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
CID 162460106

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide (CID 59268329) is N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide is CC(=O)N1CC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide?
The InChIKey is SMRRZIUNIKCJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-6(10)9-4-7(5-9)3-8-13(2,11)12/h7-8H,3-5H2,1-2H3.
What are the key properties of N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide?
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide 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-acetylazetidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 59268329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).