2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide

C10H14Br2N2O2S2 — CID 43598645

IUPAC2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCNC1CC1)c1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2N2O2S2/c11-9-6-8(10(12)17-9)18(15,16)14-5-1-4-13-7-2-3-7/h6-7,13-14H,1-5H2
InChIKeySEQHQGHOKJXVHP-UHFFFAOYSA-N
MW418.18 g/mol
LogP2.69
Rot. Bonds7

About 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide

2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide (PubChem CID 43598645) has the molecular formula C10H14Br2N2O2S2 and a molecular weight of 418.18 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide
PubChem CID43598645
Molecular FormulaC10H14Br2N2O2S2
Molecular Weight418.18 g/mol
Exact Mass415.89
IUPAC Name2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCCNC1CC1)c1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2N2O2S2/c11-9-6-8(10(12)17-9)18(15,16)14-5-1-4-13-7-2-3-7/h6-7,13-14H,1-5H2
InChIKeySEQHQGHOKJXVHP-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
4-[3-(cyclopropylamino)propylsulfamoyl]-3-fluorobenzoic acid
CID 79177684
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide (CID 43598645) is 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide is O=S(=O)(NCCCNC1CC1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide?
The InChIKey is SEQHQGHOKJXVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S2/c11-9-6-8(10(12)17-9)18(15,16)14-5-1-4-13-7-2-3-7/h6-7,13-14H,1-5H2.
What are the key properties of 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide?
2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide has a molecular weight of 418.18 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 43598645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).