5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride

C9H12ClNO3S2 — CID 83271550

IUPAC5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CN2CCOCC2)s1
InChIInChI=1S/C9H12ClNO3S2/c10-16(12,13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2
InChIKeyADPDQGQENPIZJR-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.51
Rot. Bonds3

About 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride

5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride (PubChem CID 83271550) has the molecular formula C9H12ClNO3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride
PubChem CID83271550
Molecular FormulaC9H12ClNO3S2
Molecular Weight281.79 g/mol
Exact Mass280.99
IUPAC Name5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CN2CCOCC2)s1
InChIInChI=1S/C9H12ClNO3S2/c10-16(12,13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2
InChIKeyADPDQGQENPIZJR-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride (CID 83271550) is 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(CN2CCOCC2)s1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride?
The InChIKey is ADPDQGQENPIZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S2/c10-16(12,13)9-2-1-8(15-9)7-11-3-5-14-6-4-11/h1-2H,3-7H2.
What are the key properties of 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride?
5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride has a molecular weight of 281.79 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 83271550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).