N-(1-adamantyl)cyclopropanesulfonamide

C13H21NO2S — CID 134195111

IUPACN-(1-adamantyl)cyclopropanesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C13H21NO2S/c15-17(16,12-1-2-12)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14H,1-8H2
InChIKeyNSKNXLIEQNKBHN-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.04
Rot. Bonds3

About N-(1-adamantyl)cyclopropanesulfonamide

N-(1-adamantyl)cyclopropanesulfonamide (PubChem CID 134195111) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(1-adamantyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)cyclopropanesulfonamide
PubChem CID134195111
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(1-adamantyl)cyclopropanesulfonamide
SMILESO=S(=O)(NC12CC3CC(CC(C3)C1)C2)C1CC1
InChIInChI=1S/C13H21NO2S/c15-17(16,12-1-2-12)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14H,1-8H2
InChIKeyNSKNXLIEQNKBHN-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)cyclopropanesulfonamide?
The IUPAC name of N-(1-adamantyl)cyclopropanesulfonamide (CID 134195111) is N-(1-adamantyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-adamantyl)cyclopropanesulfonamide is O=S(=O)(NC12CC3CC(CC(C3)C1)C2)C1CC1.
What is the InChIKey of N-(1-adamantyl)cyclopropanesulfonamide?
The InChIKey is NSKNXLIEQNKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c15-17(16,12-1-2-12)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12,14H,1-8H2.
What are the key properties of N-(1-adamantyl)cyclopropanesulfonamide?
N-(1-adamantyl)cyclopropanesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)cyclopropanesulfonamide is sourced from PubChem (CID 134195111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).