3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide

C10H23N3O3S — CID 54965434

IUPAC3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O3S/c1-10(9-13-4-6-16-7-5-13)12-17(14,15)8-2-3-11/h10,12H,2-9,11H2,1H3
InChIKeyKGPQQWHKGUQVRJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.02
Rot. Bonds7

About 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide

3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide (PubChem CID 54965434) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
PubChem CID54965434
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
SMILESCC(CN1CCOCC1)NS(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O3S/c1-10(9-13-4-6-16-7-5-13)12-17(14,15)8-2-3-11/h10,12H,2-9,11H2,1H3
InChIKeyKGPQQWHKGUQVRJ-UHFFFAOYSA-N
XLogP-1.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide (CID 54965434) is 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide is CC(CN1CCOCC1)NS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is KGPQQWHKGUQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(9-13-4-6-16-7-5-13)12-17(14,15)8-2-3-11/h10,12H,2-9,11H2,1H3.
What are the key properties of 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 54965434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).