4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane

C17H32N2O3S — CID 134203157

IUPAC4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane
SMILESCC(C)(C)C1C2CC3CC1CC(OCCCNS(N)(=O)=O)(C3)C2
InChIInChI=1S/C17H32N2O3S/c1-16(2,3)15-13-7-12-8-14(15)11-17(9-12,10-13)22-6-4-5-19-23(18,20)21/h12-15,19H,4-11H2,1-3H3,(H2,18,20,21)
InChIKeyKNOKBZLCWGOLRF-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.43
Rot. Bonds6

About 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane

4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane (PubChem CID 134203157) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane.

Molecular Properties

Compound Name4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane
PubChem CID134203157
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane
SMILESCC(C)(C)C1C2CC3CC1CC(OCCCNS(N)(=O)=O)(C3)C2
InChIInChI=1S/C17H32N2O3S/c1-16(2,3)15-13-7-12-8-14(15)11-17(9-12,10-13)22-6-4-5-19-23(18,20)21/h12-15,19H,4-11H2,1-3H3,(H2,18,20,21)
InChIKeyKNOKBZLCWGOLRF-UHFFFAOYSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.43
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 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane?
The IUPAC name of 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane (CID 134203157) is 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane.
What is the SMILES notation for 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane?
The canonical SMILES for 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane is CC(C)(C)C1C2CC3CC1CC(OCCCNS(N)(=O)=O)(C3)C2.
What is the InChIKey of 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane?
The InChIKey is KNOKBZLCWGOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-16(2,3)15-13-7-12-8-14(15)11-17(9-12,10-13)22-6-4-5-19-23(18,20)21/h12-15,19H,4-11H2,1-3H3,(H2,18,20,21).
What are the key properties of 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane?
4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane has a molecular weight of 344.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[3-(sulfamoylamino)propoxy]adamantane is sourced from PubChem (CID 134203157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).