3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea

C10H18N6O3S — CID 83121658

IUPAC3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1cnccc1NN
InChIInChI=1S/C10H18N6O3S/c1-16(2)10(17)13-5-6-14-20(18,19)9-7-12-4-3-8(9)15-11/h3-4,7,14H,5-6,11H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyWOQNLWYGYZEAJN-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.08
Rot. Bonds6

About 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea

3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea (PubChem CID 83121658) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
PubChem CID83121658
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC Name3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1cnccc1NN
InChIInChI=1S/C10H18N6O3S/c1-16(2)10(17)13-5-6-14-20(18,19)9-7-12-4-3-8(9)15-11/h3-4,7,14H,5-6,11H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyWOQNLWYGYZEAJN-UHFFFAOYSA-N
XLogP-1.08
TPSA129.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106278343
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-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543
4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 104552469
4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419547
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522
3-[2-[(8-aminoisoquinolin-5-yl)amino]ethyl]-1,1-dimethylurea
CID 83115992
3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
4-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-sulfonamide
CID 64531197

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea (CID 83121658) is 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNS(=O)(=O)c1cnccc1NN.
What is the InChIKey of 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The InChIKey is WOQNLWYGYZEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-16(2)10(17)13-5-6-14-20(18,19)9-7-12-4-3-8(9)15-11/h3-4,7,14H,5-6,11H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea has a molecular weight of 302.36 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83121658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).