N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide

C13H20N2O2S — CID 125041711

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCc1ccsc1CCNC(=O)C[C@H]1CNCCO1
InChIInChI=1S/C13H20N2O2S/c1-10-3-7-18-12(10)2-4-15-13(16)8-11-9-14-5-6-17-11/h3,7,11,14H,2,4-6,8-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyJKNISMQBBFVZAM-NSHDSACASA-N
MW268.38 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide

N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 125041711) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID125041711
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESCc1ccsc1CCNC(=O)C[C@H]1CNCCO1
InChIInChI=1S/C13H20N2O2S/c1-10-3-7-18-12(10)2-4-15-13(16)8-11-9-14-5-6-17-11/h3,7,11,14H,2,4-6,8-9H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyJKNISMQBBFVZAM-NSHDSACASA-N
XLogP1.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide (CID 125041711) is N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide is Cc1ccsc1CCNC(=O)C[C@H]1CNCCO1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is JKNISMQBBFVZAM-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-3-7-18-12(10)2-4-15-13(16)8-11-9-14-5-6-17-11/h3,7,11,14H,2,4-6,8-9H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide?
N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 125041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).