2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide

C13H26N2O3S — CID 59634338

IUPAC2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)(C)CCNC(=O)C(C)(C)S(=O)(=O)N1CCC1
InChIInChI=1S/C13H26N2O3S/c1-12(2,3)7-8-14-11(16)13(4,5)19(17,18)15-9-6-10-15/h6-10H2,1-5H3,(H,14,16)
InChIKeyHGEIPMISINZSMH-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.35
Rot. Bonds5

About 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide

2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 59634338) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID59634338
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)(C)CCNC(=O)C(C)(C)S(=O)(=O)N1CCC1
InChIInChI=1S/C13H26N2O3S/c1-12(2,3)7-8-14-11(16)13(4,5)19(17,18)15-9-6-10-15/h6-10H2,1-5H3,(H,14,16)
InChIKeyHGEIPMISINZSMH-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 59634338) is 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide is CC(C)(C)CCNC(=O)C(C)(C)S(=O)(=O)N1CCC1.
What is the InChIKey of 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is HGEIPMISINZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12(2,3)7-8-14-11(16)13(4,5)19(17,18)15-9-6-10-15/h6-10H2,1-5H3,(H,14,16).
What are the key properties of 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylsulfonyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 59634338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).