1-(1-adamantylamino)-N-methylmethanesulfonamide

C12H22N2O2S — CID 123878193

IUPAC1-(1-adamantylamino)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H22N2O2S/c1-13-17(15,16)8-14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13-14H,2-8H2,1H3
InChIKeyWKGZXQDEIJPIIJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.05
Rot. Bonds4

About 1-(1-adamantylamino)-N-methylmethanesulfonamide

1-(1-adamantylamino)-N-methylmethanesulfonamide (PubChem CID 123878193) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(1-adamantylamino)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-adamantylamino)-N-methylmethanesulfonamide
PubChem CID123878193
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-(1-adamantylamino)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H22N2O2S/c1-13-17(15,16)8-14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13-14H,2-8H2,1H3
InChIKeyWKGZXQDEIJPIIJ-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1,2,2,3,3-hexafluorobutylsulfonylmethyl)adamantane
CID 58122744
N-(1-adamantyl)methanesulfonamide
CID 2932031
N-methyladamantan-1-amine
CID 19476
(2S)-3-(1-adamantylamino)-2-fluoropropane-1-sulfonic acid
CID 58691917
N-(2,2-difluorobutyl)adamantan-1-amine
CID 158136327
CID 140659618
CID 140659618
1-(2-adamantyl)-N-methylmethanesulfonamide
CID 165445876
1-(dimethylsulfamoylamino)adamantane
CID 35326743
N-(3,3,3-trifluoropropyl)adamantan-1-amine
CID 64553963
1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
CID 10217321
1-(1-adamantyl)-2-(1-adamantylamino)ethanone
CID 3292373
1-(1-ethylcyclopropyl)-N-methylmethanesulfonamide
CID 165442883

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylamino)-N-methylmethanesulfonamide?
The IUPAC name of 1-(1-adamantylamino)-N-methylmethanesulfonamide (CID 123878193) is 1-(1-adamantylamino)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(1-adamantylamino)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(1-adamantylamino)-N-methylmethanesulfonamide is CNS(=O)(=O)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylamino)-N-methylmethanesulfonamide?
The InChIKey is WKGZXQDEIJPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-13-17(15,16)8-14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13-14H,2-8H2,1H3.
What are the key properties of 1-(1-adamantylamino)-N-methylmethanesulfonamide?
1-(1-adamantylamino)-N-methylmethanesulfonamide has a molecular weight of 258.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylamino)-N-methylmethanesulfonamide is sourced from PubChem (CID 123878193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).