N-(1-adamantyl)propane-2-sulfonamide

C13H23NO2S — CID 49454798

IUPACN-(1-adamantyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-9(2)17(15,16)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyLSDZWORGMTYJPL-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.28
Rot. Bonds3

About N-(1-adamantyl)propane-2-sulfonamide

N-(1-adamantyl)propane-2-sulfonamide (PubChem CID 49454798) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(1-adamantyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)propane-2-sulfonamide
PubChem CID49454798
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(1-adamantyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-9(2)17(15,16)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyLSDZWORGMTYJPL-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)thiolane-2-sulfonamide
CID 168272247
N-(1-adamantyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 102224995
N-(1-adamantyl)methanesulfonamide
CID 2932031
N-(1-adamantyl)-1,1,2,2,3,3-hexafluoro-N'-methylsulfonylpropane-1,3-disulfonamide
CID 118517348
N-(1-adamantyl)-2-fluoropropane-2-sulfonamide
CID 123585652
N-(1-adamantyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294867
N-(1-adamantyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294868
N,N-bis(methanesulfonyl)-1-adamantylamine
CID 101058159
N-tert-butyladamantane-1-sulfonamide
CID 168307401
N-(1-adamantyl)ethanesulfonamide
CID 3574114
N-tert-Butyl-N'-(adamant-l-yl) sulfamide
CID 12708050
N-(2-adamantyl)ethanesulfonamide
CID 22204436

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)propane-2-sulfonamide?
The IUPAC name of N-(1-adamantyl)propane-2-sulfonamide (CID 49454798) is N-(1-adamantyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-adamantyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)propane-2-sulfonamide?
The InChIKey is LSDZWORGMTYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-9(2)17(15,16)14-13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-(1-adamantyl)propane-2-sulfonamide?
N-(1-adamantyl)propane-2-sulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)propane-2-sulfonamide is sourced from PubChem (CID 49454798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).