N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C12H28N2O3S — CID 55256182

IUPACN-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOC(C)(C)CC(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H28N2O3S/c1-10(8-12(4,5)17-6)13-9-11(2,3)14-18(7,15)16/h10,13-14H,8-9H2,1-7H3
InChIKeyYBHGHHZNRGICCV-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.11
Rot. Bonds8

About N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 55256182) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID55256182
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC NameN-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOC(C)(C)CC(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C12H28N2O3S/c1-10(8-12(4,5)17-6)13-9-11(2,3)14-18(7,15)16/h10,13-14H,8-9H2,1-7H3
InChIKeyYBHGHHZNRGICCV-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 55256182) is N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is COC(C)(C)CC(C)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YBHGHHZNRGICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-10(8-12(4,5)17-6)13-9-11(2,3)14-18(7,15)16/h10,13-14H,8-9H2,1-7H3.
What are the key properties of N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 280.43 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 55256182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).