N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide

C15H26N2O2S — CID 106047242

IUPACN-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O2S/c18-20(19,4-3-16-14-1-2-14)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16-17H,1-10H2
InChIKeyPXDMNZFXIJCNIA-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.63
Rot. Bonds6

About N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide

N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide (PubChem CID 106047242) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide
PubChem CID106047242
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O2S/c18-20(19,4-3-16-14-1-2-14)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16-17H,1-10H2
InChIKeyPXDMNZFXIJCNIA-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide?
The IUPAC name of N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide (CID 106047242) is N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide is O=S(=O)(CCNC1CC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide?
The InChIKey is PXDMNZFXIJCNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c18-20(19,4-3-16-14-1-2-14)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16-17H,1-10H2.
What are the key properties of N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide?
N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(cyclopropylamino)ethanesulfonamide is sourced from PubChem (CID 106047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).