N-(2-morpholin-4-ylethyl)propane-1-sulfonamide

C9H20N2O3S — CID 60642017

IUPACN-(2-morpholin-4-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-9-15(12,13)10-3-4-11-5-7-14-8-6-11/h10H,2-9H2,1H3
InChIKeyKJCSHZVJVGDIIK-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)propane-1-sulfonamide

N-(2-morpholin-4-ylethyl)propane-1-sulfonamide (PubChem CID 60642017) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)propane-1-sulfonamide
PubChem CID60642017
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-morpholin-4-ylethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-9-15(12,13)10-3-4-11-5-7-14-8-6-11/h10H,2-9H2,1H3
InChIKeyKJCSHZVJVGDIIK-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53621690
N-(4-morpholinobut-2-yn-1-yl)butane-1-sulfonamide
CID 71792743
2-(Morpholine-4-sulfonyl)ethan-1-amine
CID 16767330
N-[2-(3-methylmorpholin-4-yl)ethyl]methanesulfonamide
CID 20656529
1-(3-Methoxypropanesulfonyl)piperazine hydrochloride
CID 71756651
N-(4-morpholinobut-2-yn-1-yl)methanesulfonamide
CID 71792737
2,2-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)propan-1-amine
CID 71933162
N-(2-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 75414492
N-[2-(2,2-Dimethylmorpholin-4-YL)ethyl]propane-1-sulfonamide
CID 86817595
(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
CID 97216357
N-[rac-(3R,4R)-4-(4-methylpiperazin-1-yl)tetrahydrofuran-3-yl]butane-1-sulfonamide
CID 131925098
3,3,3-trifluoro-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propane-1-sulfonamide
CID 58855437

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)propane-1-sulfonamide (CID 60642017) is N-(2-morpholin-4-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
The InChIKey is KJCSHZVJVGDIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-9-15(12,13)10-3-4-11-5-7-14-8-6-11/h10H,2-9H2,1H3.
What are the key properties of N-(2-morpholin-4-ylethyl)propane-1-sulfonamide?
N-(2-morpholin-4-ylethyl)propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 60642017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).