N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide

C11H24N2O3S — CID 55031616

IUPACN-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-3-7-13-17(14,15)11-4-8-16-9-5-11/h10-13H,3-9H2,1-2H3
InChIKeyBPMHFVGGCPNRPR-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.47
Rot. Bonds7

About N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide

N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide (PubChem CID 55031616) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide
PubChem CID55031616
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-6-3-7-13-17(14,15)11-4-8-16-9-5-11/h10-13H,3-9H2,1-2H3
InChIKeyBPMHFVGGCPNRPR-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(propan-2-ylamino)propyl]oxane-4-sulfonamide?
The IUPAC name of N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide (CID 55031616) is N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide?
The canonical SMILES for N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide is CC(C)NCCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide?
The InChIKey is BPMHFVGGCPNRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)12-6-3-7-13-17(14,15)11-4-8-16-9-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide?
N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide is sourced from PubChem (CID 55031616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).