3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide

C12H27N3O3S — CID 106085709

IUPAC3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C12H27N3O3S/c1-3-13-6-5-9-19(16,17)14-10-12-11-15(4-2)7-8-18-12/h12-14H,3-11H2,1-2H3
InChIKeyPSFORTQYBBVPKL-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.37
Rot. Bonds9

About 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide

3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 106085709) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
PubChem CID106085709
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C12H27N3O3S/c1-3-13-6-5-9-19(16,17)14-10-12-11-15(4-2)7-8-18-12/h12-14H,3-11H2,1-2H3
InChIKeyPSFORTQYBBVPKL-UHFFFAOYSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701
1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 115766883
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide (CID 106085709) is 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCC1CN(CC)CCO1.
What is the InChIKey of 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is PSFORTQYBBVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-3-13-6-5-9-19(16,17)14-10-12-11-15(4-2)7-8-18-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 106085709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).