N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide

C13H26N2O3S — CID 90513003

IUPACN,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)6-14(7-11(3)4)13(16)12-8-15(9-12)19(5,17)18/h10-12H,6-9H2,1-5H3
InChIKeyXPJIUAPBIZTKPA-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.02
Rot. Bonds6

About N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide

N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513003) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513003
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C13H26N2O3S/c1-10(2)6-14(7-11(3)4)13(16)12-8-15(9-12)19(5,17)18/h10-12H,6-9H2,1-5H3
InChIKeyXPJIUAPBIZTKPA-UHFFFAOYSA-N
XLogP1.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513003) is N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is XPJIUAPBIZTKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-10(2)6-14(7-11(3)4)13(16)12-8-15(9-12)19(5,17)18/h10-12H,6-9H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide?
N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).