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

C11H23ClN2O3S — CID 79586284

IUPAC3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C11H23ClN2O3S/c1-10(7-12)9-18(15,16)13-11(2)8-14-3-5-17-6-4-14/h10-11,13H,3-9H2,1-2H3
InChIKeyJBJOPHNBDUYOPW-UHFFFAOYSA-N
MW298.84 g/mol
LogP0.50
Rot. Bonds7

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

3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide (PubChem CID 79586284) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
PubChem CID79586284
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C11H23ClN2O3S/c1-10(7-12)9-18(15,16)13-11(2)8-14-3-5-17-6-4-14/h10-11,13H,3-9H2,1-2H3
InChIKeyJBJOPHNBDUYOPW-UHFFFAOYSA-N
XLogP0.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-methylpropyl)sulfonylmorpholine
CID 79579785
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 106003094
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 55896392
3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide
CID 79585425
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
CID 106003066
5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912163
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 61060886

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide (CID 79586284) is 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC(C)CN1CCOCC1.
What is the InChIKey of 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
The InChIKey is JBJOPHNBDUYOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O3S/c1-10(7-12)9-18(15,16)13-11(2)8-14-3-5-17-6-4-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide has a molecular weight of 298.84 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 79586284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).