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

C8H19NO2S — CID 122599017

IUPACN-[(2R)-2-methylhexyl]methanesulfonamide
SMILESCCCC[C@@H](C)CNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-5-6-8(2)7-9-12(3,10)11/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyJXNPSTAITLSZHP-MRVPVSSYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds6

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

N-[(2R)-2-methylhexyl]methanesulfonamide (PubChem CID 122599017) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-[(2R)-2-methylhexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methylhexyl]methanesulfonamide
PubChem CID122599017
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-[(2R)-2-methylhexyl]methanesulfonamide
SMILESCCCC[C@@H](C)CNS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-5-6-8(2)7-9-12(3,10)11/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyJXNPSTAITLSZHP-MRVPVSSYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methylhexyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-methylhexyl]methanesulfonamide (CID 122599017) is N-[(2R)-2-methylhexyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-methylhexyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-methylhexyl]methanesulfonamide is CCCC[C@@H](C)CNS(C)(=O)=O.
What is the InChIKey of N-[(2R)-2-methylhexyl]methanesulfonamide?
The InChIKey is JXNPSTAITLSZHP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-5-6-8(2)7-9-12(3,10)11/h8-9H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-methylhexyl]methanesulfonamide?
N-[(2R)-2-methylhexyl]methanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methylhexyl]methanesulfonamide is sourced from PubChem (CID 122599017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).