4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide

C12H15BrN2O4S2 — CID 83105167

IUPAC4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H15BrN2O4S2/c13-10-3-4-11(20-10)21(17,18)15-5-6-19-7-9(15)12(16)14-8-1-2-8/h3-4,8-9H,1-2,5-7H2,(H,14,16)
InChIKeyGUGYUUKHAHDPQG-UHFFFAOYSA-N
MW395.30 g/mol
LogP1.18
Rot. Bonds4

About 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide

4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83105167) has the molecular formula C12H15BrN2O4S2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83105167
Molecular FormulaC12H15BrN2O4S2
Molecular Weight395.30 g/mol
Exact Mass393.97
IUPAC Name4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H15BrN2O4S2/c13-10-3-4-11(20-10)21(17,18)15-5-6-19-7-9(15)12(16)14-8-1-2-8/h3-4,8-9H,1-2,5-7H2,(H,14,16)
InChIKeyGUGYUUKHAHDPQG-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
CID 61392339
1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
CID 115672123
N-cyclopropyl-4-pyrrolidin-3-ylsulfonylmorpholine-3-carboxamide
CID 83104809
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 24627635
1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24665031
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103715
N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 61074103

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide (CID 83105167) is 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is GUGYUUKHAHDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S2/c13-10-3-4-11(20-10)21(17,18)15-5-6-19-7-9(15)12(16)14-8-1-2-8/h3-4,8-9H,1-2,5-7H2,(H,14,16).
What are the key properties of 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide?
4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83105167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).