2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid

C10H11Br2NO4S2 — CID 43656251

IUPAC2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NO4S2/c11-8-3-7(10(12)18-8)19(16,17)13(5-9(14)15)4-6-1-2-6/h3,6H,1-2,4-5H2,(H,14,15)
InChIKeyQRVCTUDBDNGGPM-UHFFFAOYSA-N
MW433.14 g/mol
LogP2.76
Rot. Bonds6

About 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid

2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid (PubChem CID 43656251) has the molecular formula C10H11Br2NO4S2 and a molecular weight of 433.14 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid
PubChem CID43656251
Molecular FormulaC10H11Br2NO4S2
Molecular Weight433.14 g/mol
Exact Mass430.85
IUPAC Name2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NO4S2/c11-8-3-7(10(12)18-8)19(16,17)13(5-9(14)15)4-6-1-2-6/h3,6H,1-2,4-5H2,(H,14,15)
InChIKeyQRVCTUDBDNGGPM-UHFFFAOYSA-N
XLogP2.76
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2-[1-benzofuran-3-ylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 166257887
2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
CID 43656275
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196
2-[(4-acetylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656183
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid
CID 166293304
2-[cyclopropylmethyl-(4-nitrophenyl)sulfonylamino]acetic acid
CID 43656191
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 81435152

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid (CID 43656251) is 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid is O=C(O)CN(CC1CC1)S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid?
The InChIKey is QRVCTUDBDNGGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO4S2/c11-8-3-7(10(12)18-8)19(16,17)13(5-9(14)15)4-6-1-2-6/h3,6H,1-2,4-5H2,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid?
2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid has a molecular weight of 433.14 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 43656251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).