3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide

C12H17ClN2O2S — CID 95971094

IUPAC3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)s2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14-12(16)4-5-15-6-7-17-9(8-15)10-2-3-11(13)18-10/h2-3,9H,4-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyZTLNQVAYXWQHLB-SECBINFHSA-N
MW288.80 g/mol
LogP1.91
Rot. Bonds4

About 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide

3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide (PubChem CID 95971094) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide
PubChem CID95971094
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)s2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-14-12(16)4-5-15-6-7-17-9(8-15)10-2-3-11(13)18-10/h2-3,9H,4-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyZTLNQVAYXWQHLB-SECBINFHSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2S)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]ethoxy]ethanol
CID 95971091
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 87018501
4-ethyl-2-(5-methylthiophen-2-yl)morpholine
CID 174485683
[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 139011742
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide?
The IUPAC name of 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide (CID 95971094) is 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide?
The canonical SMILES for 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide is CNC(=O)CCN1CCO[C@@H](c2ccc(Cl)s2)C1.
What is the InChIKey of 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide?
The InChIKey is ZTLNQVAYXWQHLB-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14-12(16)4-5-15-6-7-17-9(8-15)10-2-3-11(13)18-10/h2-3,9H,4-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide?
3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide has a molecular weight of 288.80 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(5-chlorothiophen-2-yl)morpholin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 95971094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).