2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide

C14H29N3O4S — CID 113153386

IUPAC2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCCCCN(CC(=O)NCCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S/c1-3-4-5-7-17(22(2,19)20)13-14(18)15-6-8-16-9-11-21-12-10-16/h3-13H2,1-2H3,(H,15,18)
InChIKeyYYFYPMDAILLVRD-UHFFFAOYSA-N
MW335.47 g/mol
LogP-0.11
Rot. Bonds10

About 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide

2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 113153386) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID113153386
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Name2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCCCCN(CC(=O)NCCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S/c1-3-4-5-7-17(22(2,19)20)13-14(18)15-6-8-16-9-11-21-12-10-16/h3-13H2,1-2H3,(H,15,18)
InChIKeyYYFYPMDAILLVRD-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
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138237
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N-cyclopropyl-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149952
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 100563046
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide (CID 113153386) is 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide is CCCCCN(CC(=O)NCCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YYFYPMDAILLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-3-4-5-7-17(22(2,19)20)13-14(18)15-6-8-16-9-11-21-12-10-16/h3-13H2,1-2H3,(H,15,18).
What are the key properties of 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide 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 2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 113153386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).