[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone

C11H15ClN2O2S — CID 115315137

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2sccc2Cl)CCO1
InChIInChI=1S/C11H15ClN2O2S/c1-7(13)9-6-14(3-4-16-9)11(15)10-8(12)2-5-17-10/h2,5,7,9H,3-4,6,13H2,1H3
InChIKeyDICGZJNAPZGMMB-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.59
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone (PubChem CID 115315137) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone
PubChem CID115315137
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2sccc2Cl)CCO1
InChIInChI=1S/C11H15ClN2O2S/c1-7(13)9-6-14(3-4-16-9)11(15)10-8(12)2-5-17-10/h2,5,7,9H,3-4,6,13H2,1H3
InChIKeyDICGZJNAPZGMMB-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
CID 99598727
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide
CID 80644397
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 80644121
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
(3-chlorothiophen-2-yl)-[(6R)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methanone
CID 124749226
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 81484968
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone (CID 115315137) is [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone is CC(N)C1CN(C(=O)c2sccc2Cl)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone?
The InChIKey is DICGZJNAPZGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7(13)9-6-14(3-4-16-9)11(15)10-8(12)2-5-17-10/h2,5,7,9H,3-4,6,13H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone has a molecular weight of 274.77 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 115315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).