N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H29ClN2O2S — CID 119940408

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOC1(C)CC(N(C)C(=O)CC2CSCCN2)C1(C)C.Cl
InChIInChI=1S/C15H28N2O2S.ClH/c1-14(2)12(9-15(14,3)19-5)17(4)13(18)8-11-10-20-7-6-16-11;/h11-12,16H,6-10H2,1-5H3;1H
InChIKeyDSXCUQYNKFHDFU-UHFFFAOYSA-N
MW336.93 g/mol
LogP2.17
Rot. Bonds4

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940408) has the molecular formula C15H29ClN2O2S and a molecular weight of 336.93 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940408
Molecular FormulaC15H29ClN2O2S
Molecular Weight336.93 g/mol
Exact Mass336.16
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOC1(C)CC(N(C)C(=O)CC2CSCCN2)C1(C)C.Cl
InChIInChI=1S/C15H28N2O2S.ClH/c1-14(2)12(9-15(14,3)19-5)17(4)13(18)8-11-10-20-7-6-16-11;/h11-12,16H,6-10H2,1-5H3;1H
InChIKeyDSXCUQYNKFHDFU-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119939729
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
4-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119342989
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420866
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940408) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is COC1(C)CC(N(C)C(=O)CC2CSCCN2)C1(C)C.Cl.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is DSXCUQYNKFHDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S.ClH/c1-14(2)12(9-15(14,3)19-5)17(4)13(18)8-11-10-20-7-6-16-11;/h11-12,16H,6-10H2,1-5H3;1H.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 336.93 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).