3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea

C10H16BrN5O3S — CID 83114587

IUPAC3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H16BrN5O3S/c1-16(2)10(17)13-3-4-15-20(18,19)8-5-7(11)6-14-9(8)12/h5-6,15H,3-4H2,1-2H3,(H2,12,14)(H,13,17)
InChIKeyNTOMSUIKSCOESB-UHFFFAOYSA-N
MW366.24 g/mol
LogP-0.02
Rot. Bonds5

About 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea

3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea (PubChem CID 83114587) has the molecular formula C10H16BrN5O3S and a molecular weight of 366.24 g/mol. Its IUPAC name is 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
PubChem CID83114587
Molecular FormulaC10H16BrN5O3S
Molecular Weight366.24 g/mol
Exact Mass365.02
IUPAC Name3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H16BrN5O3S/c1-16(2)10(17)13-3-4-15-20(18,19)8-5-7(11)6-14-9(8)12/h5-6,15H,3-4H2,1-2H3,(H2,12,14)(H,13,17)
InChIKeyNTOMSUIKSCOESB-UHFFFAOYSA-N
XLogP-0.02
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
CID 104922252
3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83115602
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83109055
3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea (CID 83114587) is 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The InChIKey is NTOMSUIKSCOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O3S/c1-16(2)10(17)13-3-4-15-20(18,19)8-5-7(11)6-14-9(8)12/h5-6,15H,3-4H2,1-2H3,(H2,12,14)(H,13,17).
What are the key properties of 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea has a molecular weight of 366.24 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83114587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).