N-(6-amino-2-ethylheptyl)methanesulfonamide

C10H24N2O2S — CID 118909031

IUPACN-(6-amino-2-ethylheptyl)methanesulfonamide
SMILESCCC(CCCC(C)N)CNS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-4-10(7-5-6-9(2)11)8-12-15(3,13)14/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKZOQZSSDHGHZEJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.08
Rot. Bonds8

About N-(6-amino-2-ethylheptyl)methanesulfonamide

N-(6-amino-2-ethylheptyl)methanesulfonamide (PubChem CID 118909031) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(6-amino-2-ethylheptyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-ethylheptyl)methanesulfonamide
PubChem CID118909031
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-(6-amino-2-ethylheptyl)methanesulfonamide
SMILESCCC(CCCC(C)N)CNS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-4-10(7-5-6-9(2)11)8-12-15(3,13)14/h9-10,12H,4-8,11H2,1-3H3
InChIKeyKZOQZSSDHGHZEJ-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-ethylheptyl)methanesulfonamide?
The IUPAC name of N-(6-amino-2-ethylheptyl)methanesulfonamide (CID 118909031) is N-(6-amino-2-ethylheptyl)methanesulfonamide.
What is the SMILES notation for N-(6-amino-2-ethylheptyl)methanesulfonamide?
The canonical SMILES for N-(6-amino-2-ethylheptyl)methanesulfonamide is CCC(CCCC(C)N)CNS(C)(=O)=O.
What is the InChIKey of N-(6-amino-2-ethylheptyl)methanesulfonamide?
The InChIKey is KZOQZSSDHGHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-10(7-5-6-9(2)11)8-12-15(3,13)14/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of N-(6-amino-2-ethylheptyl)methanesulfonamide?
N-(6-amino-2-ethylheptyl)methanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-ethylheptyl)methanesulfonamide is sourced from PubChem (CID 118909031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).