N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide

C8H20N2O2S — CID 122599140

IUPACN-[(2R)-2-amino-2-methylhexyl]methanesulfonamide
SMILESCCCC[C@@](C)(N)CNS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-8(2,9)7-10-13(3,11)12/h10H,4-7,9H2,1-3H3/t8-/m1/s1
InChIKeyOQQNWWHPAKUNDT-MRVPVSSYSA-N
MW208.33 g/mol
LogP0.44
Rot. Bonds6

About N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide

N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide (PubChem CID 122599140) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-2-methylhexyl]methanesulfonamide
PubChem CID122599140
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[(2R)-2-amino-2-methylhexyl]methanesulfonamide
SMILESCCCC[C@@](C)(N)CNS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-4-5-6-8(2,9)7-10-13(3,11)12/h10H,4-7,9H2,1-3H3/t8-/m1/s1
InChIKeyOQQNWWHPAKUNDT-MRVPVSSYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(2R)-2-amino-2-methylhexyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide (CID 122599140) is N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide is CCCC[C@@](C)(N)CNS(C)(=O)=O.
What is the InChIKey of N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide?
The InChIKey is OQQNWWHPAKUNDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-5-6-8(2,9)7-10-13(3,11)12/h10H,4-7,9H2,1-3H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide?
N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-2-methylhexyl]methanesulfonamide is sourced from PubChem (CID 122599140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).