N-(1-aminopropan-2-yl)oxane-4-sulfonamide

C8H18N2O3S — CID 62047878

IUPACN-(1-aminopropan-2-yl)oxane-4-sulfonamide
SMILESCC(CN)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-7(6-9)10-14(11,12)8-2-4-13-5-3-8/h7-8,10H,2-6,9H2,1H3
InChIKeyOMXSDZAPAXQCOV-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds4

About N-(1-aminopropan-2-yl)oxane-4-sulfonamide

N-(1-aminopropan-2-yl)oxane-4-sulfonamide (PubChem CID 62047878) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)oxane-4-sulfonamide
PubChem CID62047878
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(1-aminopropan-2-yl)oxane-4-sulfonamide
SMILESCC(CN)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-7(6-9)10-14(11,12)8-2-4-13-5-3-8/h7-8,10H,2-6,9H2,1H3
InChIKeyOMXSDZAPAXQCOV-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)oxane-4-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)oxane-4-sulfonamide (CID 62047878) is N-(1-aminopropan-2-yl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)oxane-4-sulfonamide is CC(CN)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1-aminopropan-2-yl)oxane-4-sulfonamide?
The InChIKey is OMXSDZAPAXQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(6-9)10-14(11,12)8-2-4-13-5-3-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)oxane-4-sulfonamide?
N-(1-aminopropan-2-yl)oxane-4-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)oxane-4-sulfonamide is sourced from PubChem (CID 62047878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).