N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide

C14H29N3O4S — CID 113150008

IUPACN-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
SMILESCC(C)CCNC(=O)CN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S/c1-13(2)4-5-15-14(18)12-17(22(3,19)20)7-6-16-8-10-21-11-9-16/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyDUELXIYHEKQFKQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP-0.26
Rot. Bonds9

About N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide

N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide (PubChem CID 113150008) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
PubChem CID113150008
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC NameN-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
SMILESCC(C)CCNC(=O)CN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O4S/c1-13(2)4-5-15-14(18)12-17(22(3,19)20)7-6-16-8-10-21-11-9-16/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyDUELXIYHEKQFKQ-UHFFFAOYSA-N
XLogP-0.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113153386
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
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-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]pentanamide
CID 113066319
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983
N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149986
2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
CID 113147921
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]methanesulfonamide
CID 113066365
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide (CID 113150008) is N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide is CC(C)CCNC(=O)CN(CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
The InChIKey is DUELXIYHEKQFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-13(2)4-5-15-14(18)12-17(22(3,19)20)7-6-16-8-10-21-11-9-16/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide has a molecular weight of 335.47 g/mol, XLogP of -0.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 113150008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).