[(1-adamantylamino)sulfonimidoyl] sulfamate

C10H19N3O4S2 — CID 87827631

IUPAC[(1-adamantylamino)sulfonimidoyl] sulfamate
SMILES[H]N=S(=O)(NC12CC3CC(CC(C3)C1)C2)OS(N)(=O)=O
InChIInChI=1S/C10H19N3O4S2/c11-18(14,17-19(12,15)16)13-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,13,14)(H2,12,15,16)
InChIKeyJUMCMBSSLWNQKF-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.64
Rot. Bonds4

About [(1-adamantylamino)sulfonimidoyl] sulfamate

[(1-adamantylamino)sulfonimidoyl] sulfamate (PubChem CID 87827631) has the molecular formula C10H19N3O4S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(1-adamantylamino)sulfonimidoyl] sulfamate.

Molecular Properties

Compound Name[(1-adamantylamino)sulfonimidoyl] sulfamate
PubChem CID87827631
Molecular FormulaC10H19N3O4S2
Molecular Weight309.41 g/mol
Exact Mass309.08
IUPAC Name[(1-adamantylamino)sulfonimidoyl] sulfamate
SMILES[H]N=S(=O)(NC12CC3CC(CC(C3)C1)C2)OS(N)(=O)=O
InChIInChI=1S/C10H19N3O4S2/c11-18(14,17-19(12,15)16)13-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,13,14)(H2,12,15,16)
InChIKeyJUMCMBSSLWNQKF-UHFFFAOYSA-N
XLogP0.64
TPSA122.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)methanesulfonamide
CID 2932031
1-(dimethylsulfamoylamino)adamantane
CID 35326743
N-(phenylsulfamoyl)adamantan-1-amine
CID 134204498
N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide
CID 106047242
N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
CID 129295001
4-(1-adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide
CID 71584455
N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944408
1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 2942269
tert-butyl N-(1-adamantylamino)carbamate
CID 57256539
N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide
CID 18891425
4-(1-adamantylsulfamoyl)benzoate
CID 7119512
N-(1-adamantyl)-4-propan-2-ylbenzenesulfonamide
CID 19681548

Frequently Asked Questions

What is the IUPAC name of [(1-adamantylamino)sulfonimidoyl] sulfamate?
The IUPAC name of [(1-adamantylamino)sulfonimidoyl] sulfamate (CID 87827631) is [(1-adamantylamino)sulfonimidoyl] sulfamate.
What is the SMILES notation for [(1-adamantylamino)sulfonimidoyl] sulfamate?
The canonical SMILES for [(1-adamantylamino)sulfonimidoyl] sulfamate is [H]N=S(=O)(NC12CC3CC(CC(C3)C1)C2)OS(N)(=O)=O.
What is the InChIKey of [(1-adamantylamino)sulfonimidoyl] sulfamate?
The InChIKey is JUMCMBSSLWNQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S2/c11-18(14,17-19(12,15)16)13-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,13,14)(H2,12,15,16).
What are the key properties of [(1-adamantylamino)sulfonimidoyl] sulfamate?
[(1-adamantylamino)sulfonimidoyl] sulfamate has a molecular weight of 309.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-adamantylamino)sulfonimidoyl] sulfamate is sourced from PubChem (CID 87827631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).