(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid

C15H21NO4S — CID 124513410

IUPAC(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCCCc1sc(C(=O)N2CCOC[C@H]2C(=O)O)cc1CC
InChIInChI=1S/C15H21NO4S/c1-3-5-12-10(4-2)8-13(21-12)14(17)16-6-7-20-9-11(16)15(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyPVDURIBAAFNDBD-NSHDSACASA-N
MW311.40 g/mol
LogP2.19
Rot. Bonds5

About (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124513410) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
PubChem CID124513410
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
SMILESCCCc1sc(C(=O)N2CCOC[C@H]2C(=O)O)cc1CC
InChIInChI=1S/C15H21NO4S/c1-3-5-12-10(4-2)8-13(21-12)14(17)16-6-7-20-9-11(16)15(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyPVDURIBAAFNDBD-NSHDSACASA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125119497
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 75523575
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038
methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate
CID 115670080
1-(4-ethyl-5-propylthiophene-2-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134045870
4-(5-bromo-4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 120521719
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(3R)-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513461
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 106671501
(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124596115
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid (CID 124513410) is (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid is CCCc1sc(C(=O)N2CCOC[C@H]2C(=O)O)cc1CC.
What is the InChIKey of (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is PVDURIBAAFNDBD-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-5-12-10(4-2)8-13(21-12)14(17)16-6-7-20-9-11(16)15(18)19/h8,11H,3-7,9H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).