N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide

C10H21N3O3S — CID 138636589

IUPACN-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C10H21N3O3S/c1-5-8(2)10(14)11-9-6-13(7-9)17(15,16)12(3)4/h8-9H,5-7H2,1-4H3,(H,11,14)
InChIKeyZABGBIWLEBUPRP-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.36
Rot. Bonds5

About N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide

N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide (PubChem CID 138636589) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide
PubChem CID138636589
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C10H21N3O3S/c1-5-8(2)10(14)11-9-6-13(7-9)17(15,16)12(3)4/h8-9H,5-7H2,1-4H3,(H,11,14)
InChIKeyZABGBIWLEBUPRP-UHFFFAOYSA-N
XLogP-0.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-2-methylbutanamide
CID 66188169
N,N-dimethyl-3-propan-2-ylazetidine-1-sulfonamide
CID 71124408
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
3-ethylsulfonyl-N,N-dimethylazetidine-1-sulfonamide
CID 121164691
1-[1-(dimethylsulfamoyl)azetidin-3-yl]-3-[2-(3-methylpyrrolidin-1-yl)ethyl]urea
CID 146140724
N-[2-[[1-(dimethylsulfamoyl)azetidin-3-yl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 167885694
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 106672575

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide?
The IUPAC name of N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide (CID 138636589) is N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide is CCC(C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide?
The InChIKey is ZABGBIWLEBUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-5-8(2)10(14)11-9-6-13(7-9)17(15,16)12(3)4/h8-9H,5-7H2,1-4H3,(H,11,14).
What are the key properties of N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide?
N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide has a molecular weight of 263.36 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbutanamide is sourced from PubChem (CID 138636589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).