3-amino-N-(oxan-4-yl)propane-1-sulfonamide

C8H18N2O3S — CID 60910508

IUPAC3-amino-N-(oxan-4-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-4-1-7-14(11,12)10-8-2-5-13-6-3-8/h8,10H,1-7,9H2
InChIKeyMZAFJEVXAPELEO-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds5

About 3-amino-N-(oxan-4-yl)propane-1-sulfonamide

3-amino-N-(oxan-4-yl)propane-1-sulfonamide (PubChem CID 60910508) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-amino-N-(oxan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(oxan-4-yl)propane-1-sulfonamide
PubChem CID60910508
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-amino-N-(oxan-4-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-4-1-7-14(11,12)10-8-2-5-13-6-3-8/h8,10H,1-7,9H2
InChIKeyMZAFJEVXAPELEO-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 3-amino-N-(oxan-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(oxan-4-yl)propane-1-sulfonamide (CID 60910508) is 3-amino-N-(oxan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(oxan-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(oxan-4-yl)propane-1-sulfonamide is NCCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of 3-amino-N-(oxan-4-yl)propane-1-sulfonamide?
The InChIKey is MZAFJEVXAPELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-4-1-7-14(11,12)10-8-2-5-13-6-3-8/h8,10H,1-7,9H2.
What are the key properties of 3-amino-N-(oxan-4-yl)propane-1-sulfonamide?
3-amino-N-(oxan-4-yl)propane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 60910508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).