2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride

C9H16ClN3O2S — CID 44639622

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CSC1=NCCN1)N1CCOCC1
InChIInChI=1S/C9H15N3O2S.ClH/c13-8(12-3-5-14-6-4-12)7-15-9-10-1-2-11-9;/h1-7H2,(H,10,11);1H
InChIKeyZJPTYQLTPIUDIE-UHFFFAOYSA-N
MW265.77 g/mol
LogP-0.04
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride (PubChem CID 44639622) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride
PubChem CID44639622
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride
SMILESCl.O=C(CSC1=NCCN1)N1CCOCC1
InChIInChI=1S/C9H15N3O2S.ClH/c13-8(12-3-5-14-6-4-12)7-15-9-10-1-2-11-9;/h1-7H2,(H,10,11);1H
InChIKeyZJPTYQLTPIUDIE-UHFFFAOYSA-N
XLogP-0.04
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
CID 1711678
4,5-dihydro-1H-imidazol-2-yl 2-(4-morpholinyl)ethyl sulfide
CID 3495578
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholine;dihydrochloride
CID 13018881
2-(2-Morpholin-4-ylethylimino)-1,3-thiazolidin-4-one
CID 137163350
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 1711690
4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]morpholin-4-ium
CID 6990433
N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068278
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxyethyl)acetamide
CID 104380462
N-(2-methoxyethyl)-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
CID 104380467
2-(4,5-Dihydro-1,3-thiazol-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 104409134
2-[(4-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 104409136
2-[(4-Ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 104409140

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride (CID 44639622) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride is Cl.O=C(CSC1=NCCN1)N1CCOCC1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride?
The InChIKey is ZJPTYQLTPIUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S.ClH/c13-8(12-3-5-14-6-4-12)7-15-9-10-1-2-11-9;/h1-7H2,(H,10,11);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride has a molecular weight of 265.77 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone;hydrochloride is sourced from PubChem (CID 44639622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).