N-[3-(1-adamantylamino)propyl]methanesulfonamide

C14H26N2O2S — CID 134195115

IUPACN-[3-(1-adamantylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H26N2O2S/c1-19(17,18)16-4-2-3-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15-16H,2-10H2,1H3
InChIKeyHOLIZLMRBCVKOD-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.48
Rot. Bonds6

About N-[3-(1-adamantylamino)propyl]methanesulfonamide

N-[3-(1-adamantylamino)propyl]methanesulfonamide (PubChem CID 134195115) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[3-(1-adamantylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-adamantylamino)propyl]methanesulfonamide
PubChem CID134195115
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[3-(1-adamantylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H26N2O2S/c1-19(17,18)16-4-2-3-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15-16H,2-10H2,1H3
InChIKeyHOLIZLMRBCVKOD-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-adamantylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(1-adamantylamino)propyl]methanesulfonamide (CID 134195115) is N-[3-(1-adamantylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-adamantylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-adamantylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(1-adamantylamino)propyl]methanesulfonamide?
The InChIKey is HOLIZLMRBCVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-19(17,18)16-4-2-3-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15-16H,2-10H2,1H3.
What are the key properties of N-[3-(1-adamantylamino)propyl]methanesulfonamide?
N-[3-(1-adamantylamino)propyl]methanesulfonamide has a molecular weight of 286.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-adamantylamino)propyl]methanesulfonamide is sourced from PubChem (CID 134195115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).