N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide

C13H30N2O2S — CID 118241705

IUPACN-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)C(C)(C)CNCC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-11(2)12(3,4)9-14-10-13(5,6)15(7)18(8,16)17/h11,14H,9-10H2,1-8H3
InChIKeyCGKAQVUCVREATH-UHFFFAOYSA-N
MW278.46 g/mol
LogP1.93
Rot. Bonds7

About N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide (PubChem CID 118241705) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide
PubChem CID118241705
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)C(C)(C)CNCC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C13H30N2O2S/c1-11(2)12(3,4)9-14-10-13(5,6)15(7)18(8,16)17/h11,14H,9-10H2,1-8H3
InChIKeyCGKAQVUCVREATH-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide (CID 118241705) is N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide is CC(C)C(C)(C)CNCC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide?
The InChIKey is CGKAQVUCVREATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-11(2)12(3,4)9-14-10-13(5,6)15(7)18(8,16)17/h11,14H,9-10H2,1-8H3.
What are the key properties of N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide has a molecular weight of 278.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).