(1-adamantylamino)methanesulfonamide

C11H20N2O2S — CID 139317950

IUPAC(1-adamantylamino)methanesulfonamide
SMILESNS(=O)(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H20N2O2S/c12-16(14,15)7-13-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,13H,1-7H2,(H2,12,14,15)
InChIKeyLQIVYRSIHSKSGV-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.79
Rot. Bonds3

About (1-adamantylamino)methanesulfonamide

(1-adamantylamino)methanesulfonamide (PubChem CID 139317950) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (1-adamantylamino)methanesulfonamide.

Molecular Properties

Compound Name(1-adamantylamino)methanesulfonamide
PubChem CID139317950
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(1-adamantylamino)methanesulfonamide
SMILESNS(=O)(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H20N2O2S/c12-16(14,15)7-13-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,13H,1-7H2,(H2,12,14,15)
InChIKeyLQIVYRSIHSKSGV-UHFFFAOYSA-N
XLogP0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-adamantylamino)methanesulfonamide?
The IUPAC name of (1-adamantylamino)methanesulfonamide (CID 139317950) is (1-adamantylamino)methanesulfonamide.
What is the SMILES notation for (1-adamantylamino)methanesulfonamide?
The canonical SMILES for (1-adamantylamino)methanesulfonamide is NS(=O)(=O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1-adamantylamino)methanesulfonamide?
The InChIKey is LQIVYRSIHSKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c12-16(14,15)7-13-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,13H,1-7H2,(H2,12,14,15).
What are the key properties of (1-adamantylamino)methanesulfonamide?
(1-adamantylamino)methanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-adamantylamino)methanesulfonamide is sourced from PubChem (CID 139317950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).