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

C9H20N2O3S — CID 63712454

IUPAC3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H20N2O3S/c10-4-1-7-15(12,13)11-8-9-2-5-14-6-3-9/h9,11H,1-8,10H2
InChIKeySXIGHLHZVICLPA-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.32
Rot. Bonds6

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

3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide (PubChem CID 63712454) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide
PubChem CID63712454
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H20N2O3S/c10-4-1-7-15(12,13)11-8-9-2-5-14-6-3-9/h9,11H,1-8,10H2
InChIKeySXIGHLHZVICLPA-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.32
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-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide (CID 63712454) is 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide is NCCCS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is SXIGHLHZVICLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-4-1-7-15(12,13)11-8-9-2-5-14-6-3-9/h9,11H,1-8,10H2.
What are the key properties of 3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide?
3-amino-N-(oxan-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.32, 6 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-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 63712454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).