N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H29ClN2O2S — CID 119940421

IUPACN-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOC(CCNC(=O)CC1CSCCN1)C(C)C.Cl
InChIInChI=1S/C14H28N2O2S.ClH/c1-4-18-13(11(2)3)5-6-16-14(17)9-12-10-19-8-7-15-12;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyRGUOOBOFGHSPMW-UHFFFAOYSA-N
MW324.92 g/mol
LogP2.07
Rot. Bonds8

About N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940421) has the molecular formula C14H29ClN2O2S and a molecular weight of 324.92 g/mol. Its IUPAC name is N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940421
Molecular FormulaC14H29ClN2O2S
Molecular Weight324.92 g/mol
Exact Mass324.16
IUPAC NameN-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOC(CCNC(=O)CC1CSCCN1)C(C)C.Cl
InChIInChI=1S/C14H28N2O2S.ClH/c1-4-18-13(11(2)3)5-6-16-14(17)9-12-10-19-8-7-15-12;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyRGUOOBOFGHSPMW-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.92
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N,N-diethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 66420455
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937188
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940421) is N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CCOC(CCNC(=O)CC1CSCCN1)C(C)C.Cl.
What is the InChIKey of N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is RGUOOBOFGHSPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S.ClH/c1-4-18-13(11(2)3)5-6-16-14(17)9-12-10-19-8-7-15-12;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 324.92 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methylpentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).