N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride

C12H24ClN3O2S — CID 119940447

IUPACN,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C12H23N3O2S.ClH/c1-9(12(17)13-2)7-15(3)11(16)6-10-8-18-5-4-14-10;/h9-10,14H,4-8H2,1-3H3,(H,13,17);1H
InChIKeySIABCHGZZHLIKB-UHFFFAOYSA-N
MW309.86 g/mol
LogP0.34
Rot. Bonds5

About N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride

N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride (PubChem CID 119940447) has the molecular formula C12H24ClN3O2S and a molecular weight of 309.86 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
PubChem CID119940447
Molecular FormulaC12H24ClN3O2S
Molecular Weight309.86 g/mol
Exact Mass309.13
IUPAC NameN,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C12H23N3O2S.ClH/c1-9(12(17)13-2)7-15(3)11(16)6-10-8-18-5-4-14-10;/h9-10,14H,4-8H2,1-3H3,(H,13,17);1H
InChIKeySIABCHGZZHLIKB-UHFFFAOYSA-N
XLogP0.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915347
N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
CID 66420236
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66419942
N-methyl-N-(1-methylsulfonylpropan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939158
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride (CID 119940447) is N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride is CNC(=O)C(C)CN(C)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride?
The InChIKey is SIABCHGZZHLIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S.ClH/c1-9(12(17)13-2)7-15(3)11(16)6-10-8-18-5-4-14-10;/h9-10,14H,4-8H2,1-3H3,(H,13,17);1H.
What are the key properties of N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride?
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride has a molecular weight of 309.86 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 119940447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).