(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide

C13H17ClN2O3S — CID 97064861

IUPAC(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Cl)s2)C[C@@H](C(N)=O)O1
InChIInChI=1S/C13H17ClN2O3S/c1-7-5-16(6-9(19-7)12(15)17)13(18)8(2)10-3-4-11(14)20-10/h3-4,7-9H,5-6H2,1-2H3,(H2,15,17)/t7-,8+,9+/m1/s1
InChIKeyWMSDWCIANLTAHD-VGMNWLOBSA-N
MW316.81 g/mol
LogP1.61
Rot. Bonds3

About (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide

(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide (PubChem CID 97064861) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide
PubChem CID97064861
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Cl)s2)C[C@@H](C(N)=O)O1
InChIInChI=1S/C13H17ClN2O3S/c1-7-5-16(6-9(19-7)12(15)17)13(18)8(2)10-3-4-11(14)20-10/h3-4,7-9H,5-6H2,1-2H3,(H2,15,17)/t7-,8+,9+/m1/s1
InChIKeyWMSDWCIANLTAHD-VGMNWLOBSA-N
XLogP1.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124610754
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
2-[4-[2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 120527715
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 120817281
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one
CID 119662290
2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
2-[[(2S)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 129335184
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid
CID 103932864

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide (CID 97064861) is (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(C(=O)[C@@H](C)c2ccc(Cl)s2)C[C@@H](C(N)=O)O1.
What is the InChIKey of (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is WMSDWCIANLTAHD-VGMNWLOBSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-7-5-16(6-9(19-7)12(15)17)13(18)8(2)10-3-4-11(14)20-10/h3-4,7-9H,5-6H2,1-2H3,(H2,15,17)/t7-,8+,9+/m1/s1.
What are the key properties of (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide?
(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97064861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).