N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide

C13H20N2O4S — CID 90594685

IUPACN-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)14-12(16)15-7-11(8-15)20(17,18)9-10-5-4-6-19-10/h4-6,11H,7-9H2,1-3H3,(H,14,16)
InChIKeyILTIBPYYOXQKIP-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.39
Rot. Bonds3

About N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide

N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide (PubChem CID 90594685) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
PubChem CID90594685
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)14-12(16)15-7-11(8-15)20(17,18)9-10-5-4-6-19-10/h4-6,11H,7-9H2,1-3H3,(H,14,16)
InChIKeyILTIBPYYOXQKIP-UHFFFAOYSA-N
XLogP1.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594701
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
CID 71809402
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 90594622

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide (CID 90594685) is N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1.
What is the InChIKey of N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
The InChIKey is ILTIBPYYOXQKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2,3)14-12(16)15-7-11(8-15)20(17,18)9-10-5-4-6-19-10/h4-6,11H,7-9H2,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide?
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide is sourced from PubChem (CID 90594685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).