3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide

C10H13ClN2OS2 — CID 141010438

IUPAC3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide
SMILESNC(=O)c1sc(CN2CCSCC2)cc1Cl
InChIInChI=1S/C10H13ClN2OS2/c11-8-5-7(16-9(8)10(12)14)6-13-1-3-15-4-2-13/h5H,1-4,6H2,(H2,12,14)
InChIKeyBSMQRZYEYJOZTF-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide

3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 141010438) has the molecular formula C10H13ClN2OS2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID141010438
Molecular FormulaC10H13ClN2OS2
Molecular Weight276.81 g/mol
Exact Mass276.02
IUPAC Name3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide
SMILESNC(=O)c1sc(CN2CCSCC2)cc1Cl
InChIInChI=1S/C10H13ClN2OS2/c11-8-5-7(16-9(8)10(12)14)6-13-1-3-15-4-2-13/h5H,1-4,6H2,(H2,12,14)
InChIKeyBSMQRZYEYJOZTF-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1246945
N-[(5-chlorothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 32828451
(5-Chloro-2-thienyl){2-[2-(dimethylamino)ethyl]piperidino}methanone
CID 53193370
(5-Chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)-methanone
CID 137345878
3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 155957459
(4-Chlorothiophen-2-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 178359251
(4-Chlorothiophen-2-yl)(4,4-difluoropiperidin-1-yl)methanone
CID 178359315
(5-Chlorothiophen-2-yl)(4-(methylsulfonyl)piperidin-1-yl)methanone
CID 71805661
(5-Chlorothiophen-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 4616072
(5-Chlorothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 84576002
4-chloro-N,N-dimethylthiophene-2-carboxamide
CID 20483967
(5-Chlorothiophen-2-yl)(piperidin-1-yl)methanone
CID 25236087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide (CID 141010438) is 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide is NC(=O)c1sc(CN2CCSCC2)cc1Cl.
What is the InChIKey of 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BSMQRZYEYJOZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS2/c11-8-5-7(16-9(8)10(12)14)6-13-1-3-15-4-2-13/h5H,1-4,6H2,(H2,12,14).
What are the key properties of 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide?
3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 276.81 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 141010438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).