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

C10H22N2O3S — CID 62664787

IUPACN-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide
SMILESCC(C)NCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-9(2)11-5-6-12-16(13,14)10-3-7-15-8-4-10/h9-12H,3-8H2,1-2H3
InChIKeyRGALAZLFYZYNRH-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds6

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

N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide (PubChem CID 62664787) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide
PubChem CID62664787
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide
SMILESCC(C)NCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-9(2)11-5-6-12-16(13,14)10-3-7-15-8-4-10/h9-12H,3-8H2,1-2H3
InChIKeyRGALAZLFYZYNRH-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.08
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-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide (CID 62664787) is N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide is CC(C)NCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide?
The InChIKey is RGALAZLFYZYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)11-5-6-12-16(13,14)10-3-7-15-8-4-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide?
N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 62664787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).