N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C15H29ClN2O2S — CID 119935650

IUPACN-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCCCOC1CCCCC1
InChIInChI=1S/C15H28N2O2S.ClH/c18-15(11-13-12-20-10-8-16-13)17-7-4-9-19-14-5-2-1-3-6-14;/h13-14,16H,1-12H2,(H,17,18);1H
InChIKeyHDQFVWRRCNRMGT-UHFFFAOYSA-N
MW336.93 g/mol
LogP2.36
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935650) has the molecular formula C15H29ClN2O2S and a molecular weight of 336.93 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935650
Molecular FormulaC15H29ClN2O2S
Molecular Weight336.93 g/mol
Exact Mass336.16
IUPAC NameN-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCCCOC1CCCCC1
InChIInChI=1S/C15H28N2O2S.ClH/c18-15(11-13-12-20-10-8-16-13)17-7-4-9-19-14-5-2-1-3-6-14;/h13-14,16H,1-12H2,(H,17,18);1H
InChIKeyHDQFVWRRCNRMGT-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938129
N-[3-(azepan-1-yl)propyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940727
N-(4-ethoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 119936743
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(2-cyclohexyloxyethyl)-2-pyrrolidin-2-ylacetamide
CID 63826362
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
ethyl 4-[(2-thiomorpholin-3-ylacetyl)amino]butanoate
CID 66419936
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935650) is N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HDQFVWRRCNRMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S.ClH/c18-15(11-13-12-20-10-8-16-13)17-7-4-9-19-14-5-2-1-3-6-14;/h13-14,16H,1-12H2,(H,17,18);1H.
What are the key properties of N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 336.93 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).