N-(1-adamantylmethyl)methanesulfonamide

C12H21NO2S — CID 22206722

IUPACN-(1-adamantylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO2S/c1-16(14,15)13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3
InChIKeyUPMWBECSBWNIHW-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.75
Rot. Bonds3

About N-(1-adamantylmethyl)methanesulfonamide

N-(1-adamantylmethyl)methanesulfonamide (PubChem CID 22206722) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(1-adamantylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)methanesulfonamide
PubChem CID22206722
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(1-adamantylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO2S/c1-16(14,15)13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3
InChIKeyUPMWBECSBWNIHW-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)methanesulfonamide?
The IUPAC name of N-(1-adamantylmethyl)methanesulfonamide (CID 22206722) is N-(1-adamantylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1-adamantylmethyl)methanesulfonamide?
The canonical SMILES for N-(1-adamantylmethyl)methanesulfonamide is CS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)methanesulfonamide?
The InChIKey is UPMWBECSBWNIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-16(14,15)13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3.
What are the key properties of N-(1-adamantylmethyl)methanesulfonamide?
N-(1-adamantylmethyl)methanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)methanesulfonamide is sourced from PubChem (CID 22206722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).