2-(2-adamantylamino)-N-methylethanesulfonamide

C13H24N2O2S — CID 102676172

IUPAC2-(2-adamantylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H24N2O2S/c1-14-18(16,17)3-2-15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3
InChIKeyMSNGXCYAKAHBBE-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.95
Rot. Bonds5

About 2-(2-adamantylamino)-N-methylethanesulfonamide

2-(2-adamantylamino)-N-methylethanesulfonamide (PubChem CID 102676172) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(2-adamantylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(2-adamantylamino)-N-methylethanesulfonamide
PubChem CID102676172
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-(2-adamantylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H24N2O2S/c1-14-18(16,17)3-2-15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3
InChIKeyMSNGXCYAKAHBBE-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)-N-methylethanesulfonamide?
The IUPAC name of 2-(2-adamantylamino)-N-methylethanesulfonamide (CID 102676172) is 2-(2-adamantylamino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(2-adamantylamino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(2-adamantylamino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylamino)-N-methylethanesulfonamide?
The InChIKey is MSNGXCYAKAHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-14-18(16,17)3-2-15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3.
What are the key properties of 2-(2-adamantylamino)-N-methylethanesulfonamide?
2-(2-adamantylamino)-N-methylethanesulfonamide has a molecular weight of 272.41 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)-N-methylethanesulfonamide is sourced from PubChem (CID 102676172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).