N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide

C13H25N3O2S — CID 66420236

IUPACN,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CC1CSCCN1
InChIInChI=1S/C13H25N3O2S/c1-9(2)6-11(13(18)14-3)16-12(17)7-10-8-19-5-4-15-10/h9-11,15H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKIBJCCGESJFART-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.36
Rot. Bonds6

About N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide

N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide (PubChem CID 66420236) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
PubChem CID66420236
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CC1CSCCN1
InChIInChI=1S/C13H25N3O2S/c1-9(2)6-11(13(18)14-3)16-12(17)7-10-8-19-5-4-15-10/h9-11,15H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKIBJCCGESJFART-UHFFFAOYSA-N
XLogP0.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420292
dimethyl 2-[(2-thiomorpholin-3-ylacetyl)amino]butanedioate
CID 119938524
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
methyl 3-[(2-thiomorpholin-3-ylacetyl)amino]butanoate;hydrochloride
CID 119935716
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide?
The IUPAC name of N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide (CID 66420236) is N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide.
What is the SMILES notation for N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide?
The canonical SMILES for N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide is CNC(=O)C(CC(C)C)NC(=O)CC1CSCCN1.
What is the InChIKey of N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide?
The InChIKey is KIBJCCGESJFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-9(2)6-11(13(18)14-3)16-12(17)7-10-8-19-5-4-15-10/h9-11,15H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide?
N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide has a molecular weight of 287.43 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide is sourced from PubChem (CID 66420236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).