2-amino-N-octan-2-ylethanesulfonamide

C10H24N2O2S — CID 61477051

IUPAC2-amino-N-octan-2-ylethanesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)CCN
InChIInChI=1S/C10H24N2O2S/c1-3-4-5-6-7-10(2)12-15(13,14)9-8-11/h10,12H,3-9,11H2,1-2H3
InChIKeyQVUXFSDJJYSRBQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.22
Rot. Bonds9

About 2-amino-N-octan-2-ylethanesulfonamide

2-amino-N-octan-2-ylethanesulfonamide (PubChem CID 61477051) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-amino-N-octan-2-ylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-octan-2-ylethanesulfonamide
PubChem CID61477051
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name2-amino-N-octan-2-ylethanesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)CCN
InChIInChI=1S/C10H24N2O2S/c1-3-4-5-6-7-10(2)12-15(13,14)9-8-11/h10,12H,3-9,11H2,1-2H3
InChIKeyQVUXFSDJJYSRBQ-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide
CID 64631627
N-(methylsulfamoyl)octan-2-amine
CID 167189143
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
(2S)-6-amino-2-(dodecylsulfonylamino)hexanoic acid
CID 22878838
N-(1-amino-4-methylpentan-3-yl)butane-1-sulfonamide
CID 106357360
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-octan-2-ylethanesulfonamide?
The IUPAC name of 2-amino-N-octan-2-ylethanesulfonamide (CID 61477051) is 2-amino-N-octan-2-ylethanesulfonamide.
What is the SMILES notation for 2-amino-N-octan-2-ylethanesulfonamide?
The canonical SMILES for 2-amino-N-octan-2-ylethanesulfonamide is CCCCCCC(C)NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-octan-2-ylethanesulfonamide?
The InChIKey is QVUXFSDJJYSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-3-4-5-6-7-10(2)12-15(13,14)9-8-11/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 2-amino-N-octan-2-ylethanesulfonamide?
2-amino-N-octan-2-ylethanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-octan-2-ylethanesulfonamide is sourced from PubChem (CID 61477051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).