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

C13H25N3O4S — CID 113138235

IUPACN-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CC1)CCN1CCOCC1
InChIInChI=1S/C13H25N3O4S/c1-21(18,19)16(5-4-13(17)14-12-2-3-12)7-6-15-8-10-20-11-9-15/h12H,2-11H2,1H3,(H,14,17)
InChIKeySECZRQYDJVZQBH-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.75
Rot. Bonds8

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

N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (PubChem CID 113138235) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
PubChem CID113138235
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CC1)CCN1CCOCC1
InChIInChI=1S/C13H25N3O4S/c1-21(18,19)16(5-4-13(17)14-12-2-3-12)7-6-15-8-10-20-11-9-15/h12H,2-11H2,1H3,(H,14,17)
InChIKeySECZRQYDJVZQBH-UHFFFAOYSA-N
XLogP-0.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149952
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138237
N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138283
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]pentanamide
CID 113066319
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113138299
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
CID 113066365
N-cyclopropyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 79394794
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (CID 113138235) is N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CC1)CCN1CCOCC1.
What is the InChIKey of N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The InChIKey is SECZRQYDJVZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-21(18,19)16(5-4-13(17)14-12-2-3-12)7-6-15-8-10-20-11-9-15/h12H,2-11H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide has a molecular weight of 319.43 g/mol, XLogP of -0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 113138235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).