N-(4-amino-2-methylhexan-2-yl)methanesulfonamide

C8H20N2O2S — CID 123801795

IUPACN-(4-amino-2-methylhexan-2-yl)methanesulfonamide
SMILESCCC(N)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-5-7(9)6-8(2,3)10-13(4,11)12/h7,10H,5-6,9H2,1-4H3
InChIKeyZFPRICCWIUFGEG-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.44
Rot. Bonds5

About N-(4-amino-2-methylhexan-2-yl)methanesulfonamide

N-(4-amino-2-methylhexan-2-yl)methanesulfonamide (PubChem CID 123801795) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(4-amino-2-methylhexan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylhexan-2-yl)methanesulfonamide
PubChem CID123801795
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(4-amino-2-methylhexan-2-yl)methanesulfonamide
SMILESCCC(N)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-5-7(9)6-8(2,3)10-13(4,11)12/h7,10H,5-6,9H2,1-4H3
InChIKeyZFPRICCWIUFGEG-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylhexan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-2-methylhexan-2-yl)methanesulfonamide (CID 123801795) is N-(4-amino-2-methylhexan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylhexan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2-methylhexan-2-yl)methanesulfonamide is CCC(N)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-(4-amino-2-methylhexan-2-yl)methanesulfonamide?
The InChIKey is ZFPRICCWIUFGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-5-7(9)6-8(2,3)10-13(4,11)12/h7,10H,5-6,9H2,1-4H3.
What are the key properties of N-(4-amino-2-methylhexan-2-yl)methanesulfonamide?
N-(4-amino-2-methylhexan-2-yl)methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylhexan-2-yl)methanesulfonamide is sourced from PubChem (CID 123801795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).