(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide

C14H21ClN2O3S — CID 99636601

IUPAC(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
SMILESC[C@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O3S/c1-10(18)8-11-9-20-7-6-17(11)14(19)16-5-4-12-2-3-13(15)21-12/h2-3,10-11,18H,4-9H2,1H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyBRUWAYXIEBPWLE-QWRGUYRKSA-N
MW332.85 g/mol
LogP2.13
Rot. Bonds5

About (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide

(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide (PubChem CID 99636601) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
PubChem CID99636601
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
SMILESC[C@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O3S/c1-10(18)8-11-9-20-7-6-17(11)14(19)16-5-4-12-2-3-13(15)21-12/h2-3,10-11,18H,4-9H2,1H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyBRUWAYXIEBPWLE-QWRGUYRKSA-N
XLogP2.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-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

1-[(5-Chlorothiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45828507
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45831736
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 53499989
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795678
(2S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 94121464
(2R)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125130305
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylmorpholine-4-carboxamide
CID 53515025
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-(tetrahydrofuran-2-ylmethyl)urea
CID 17181730
4-[(5-chlorothiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 17184019
1-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 25876736
1-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 25876737
1-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 25876738

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide (CID 99636601) is (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide is C[C@H](O)C[C@H]1COCCN1C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
The InChIKey is BRUWAYXIEBPWLE-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(18)8-11-9-20-7-6-17(11)14(19)16-5-4-12-2-3-13(15)21-12/h2-3,10-11,18H,4-9H2,1H3,(H,16,19)/t10-,11-/m0/s1.
What are the key properties of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide?
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide has a molecular weight of 332.85 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide is sourced from PubChem (CID 99636601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).