(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C11H14ClNO3S — CID 103403243

IUPAC(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1csc(C(=O)N2CCOC(CO)C2)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-7-6-17-10(9(7)12)11(15)13-2-3-16-8(4-13)5-14/h6,8,14H,2-5H2,1H3
InChIKeyAKLBFTPYGKXMON-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.54
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 103403243) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID103403243
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1csc(C(=O)N2CCOC(CO)C2)c1Cl
InChIInChI=1S/C11H14ClNO3S/c1-7-6-17-10(9(7)12)11(15)13-2-3-16-8(4-13)5-14/h6,8,14H,2-5H2,1H3
InChIKeyAKLBFTPYGKXMON-UHFFFAOYSA-N
XLogP1.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 103403204
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(4-bromo-3-methylpiperidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103406247
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
(4-aminopiperidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103403494
(3-chloro-4-methylsulfonylthiophen-2-yl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 3856605
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 103403243) is (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Cc1csc(C(=O)N2CCOC(CO)C2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is AKLBFTPYGKXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-7-6-17-10(9(7)12)11(15)13-2-3-16-8(4-13)5-14/h6,8,14H,2-5H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 275.76 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 103403243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).