morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride

C15H22ClN3O3S — CID 119738862

IUPACmorpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccsc1)N1CCCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C15H21N3O3S.ClH/c19-14(12-2-9-22-11-12)17-4-1-5-18(7-6-17)15(20)13-10-16-3-8-21-13;/h2,9,11,13,16H,1,3-8,10H2;1H
InChIKeyXCTBTVPFEDHWOQ-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.83
Rot. Bonds2

About morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride

morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride (PubChem CID 119738862) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namemorpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
PubChem CID119738862
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Namemorpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccsc1)N1CCCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C15H21N3O3S.ClH/c19-14(12-2-9-22-11-12)17-4-1-5-18(7-6-17)15(20)13-10-16-3-8-21-13;/h2,9,11,13,16H,1,3-8,10H2;1H
InChIKeyXCTBTVPFEDHWOQ-UHFFFAOYSA-N
XLogP0.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119745412
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119745413
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135118695
[4-(piperidin-4-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 119930706
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride?
The IUPAC name of morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride (CID 119738862) is morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride.
What is the SMILES notation for morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride?
The canonical SMILES for morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride is Cl.O=C(c1ccsc1)N1CCCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride?
The InChIKey is XCTBTVPFEDHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c19-14(12-2-9-22-11-12)17-4-1-5-18(7-6-17)15(20)13-10-16-3-8-21-13;/h2,9,11,13,16H,1,3-8,10H2;1H.
What are the key properties of morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride?
morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119738862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).