2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide

C9H18N2O3S — CID 146312726

IUPAC2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)8(12)10-7-5-11(6-7)15(4,13)14/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyFNTPFHSUNFQJIV-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.21
Rot. Bonds2

About 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide

2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide (PubChem CID 146312726) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
PubChem CID146312726
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
SMILESCC(C)(C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-9(2,3)8(12)10-7-5-11(6-7)15(4,13)14/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyFNTPFHSUNFQJIV-UHFFFAOYSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 58468807
2-methyl-N-[1-(trifluoromethylsulfonyl)azetidin-3-yl]propanamide
CID 117709128
2-(methanesulfonamido)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 71846218
N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 21034171
N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464345
2,2-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47908938
N-[1-(3-methylazetidin-1-yl)-1-oxopropan-2-yl]butane-1-sulfonamide
CID 57806642
(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide
CID 58709520
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 58837145
(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide
CID 58935363
2-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
CID 59304217
(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
CID 59462663

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide (CID 146312726) is 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide is CC(C)(C)C(=O)NC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
The InChIKey is FNTPFHSUNFQJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,3)8(12)10-7-5-11(6-7)15(4,13)14/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methylsulfonylazetidin-3-yl)propanamide is sourced from PubChem (CID 146312726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).