N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide

C14H29N3O4S — CID 113138237

IUPACN-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCCCCNC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S/c1-3-4-6-15-14(18)5-7-17(22(2,19)20)9-8-16-10-12-21-13-11-16/h3-13H2,1-2H3,(H,15,18)
InChIKeyNDESYGVJZAHPFG-UHFFFAOYSA-N
MW335.47 g/mol
LogP-0.11
Rot. Bonds10

About N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide

N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (PubChem CID 113138237) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
PubChem CID113138237
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC NameN-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCCCCNC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S/c1-3-4-6-15-14(18)5-7-17(22(2,19)20)9-8-16-10-12-21-13-11-16/h3-13H2,1-2H3,(H,15,18)
InChIKeyNDESYGVJZAHPFG-UHFFFAOYSA-N
XLogP-0.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]pentanamide
CID 113066319
2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113153386
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
CID 113066365
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138283
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The IUPAC name of N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (CID 113138237) is N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is CCCCNC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The InChIKey is NDESYGVJZAHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-3-4-6-15-14(18)5-7-17(22(2,19)20)9-8-16-10-12-21-13-11-16/h3-13H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide has a molecular weight of 335.47 g/mol, XLogP of -0.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 113138237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).