N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide

C15H32N2O3S — CID 64850603

IUPACN-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)COC1CC(NCC(C)(C)NS(C)(=O)=O)C1(C)C
InChIInChI=1S/C15H32N2O3S/c1-11(2)9-20-13-8-12(15(13,5)6)16-10-14(3,4)17-21(7,18)19/h11-13,16-17H,8-10H2,1-7H3
InChIKeyZDKJNCYNKQGYOB-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.74
Rot. Bonds8

About N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 64850603) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID64850603
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC NameN-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)COC1CC(NCC(C)(C)NS(C)(=O)=O)C1(C)C
InChIInChI=1S/C15H32N2O3S/c1-11(2)9-20-13-8-12(15(13,5)6)16-10-14(3,4)17-21(7,18)19/h11-13,16-17H,8-10H2,1-7H3
InChIKeyZDKJNCYNKQGYOB-UHFFFAOYSA-N
XLogP1.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 64850603) is N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)COC1CC(NCC(C)(C)NS(C)(=O)=O)C1(C)C.
What is the InChIKey of N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is ZDKJNCYNKQGYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-11(2)9-20-13-8-12(15(13,5)6)16-10-14(3,4)17-21(7,18)19/h11-13,16-17H,8-10H2,1-7H3.
What are the key properties of N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 320.50 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 64850603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).