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

C10H17N5O3S — CID 83115602

IUPAC3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C10H17N5O3S/c1-15(2)10(16)13-5-6-14-19(17,18)8-3-4-12-9(11)7-8/h3-4,7,14H,5-6H2,1-2H3,(H2,11,12)(H,13,16)
InChIKeyBRSDKXVKSJTWTB-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.79
Rot. Bonds5

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

3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea (PubChem CID 83115602) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
PubChem CID83115602
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNS(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C10H17N5O3S/c1-15(2)10(16)13-5-6-14-19(17,18)8-3-4-12-9(11)7-8/h3-4,7,14H,5-6H2,1-2H3,(H2,11,12)(H,13,16)
InChIKeyBRSDKXVKSJTWTB-UHFFFAOYSA-N
XLogP-0.79
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.79
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-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
2-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-4-sulfonamide
CID 62152452
1,1-dimethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 118986455
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
N-[2-[[2-(methylamino)-4-pyridinyl]sulfonylamino]ethyl]acetamide
CID 62145904
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
3-[2-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83121658

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea (CID 83115602) is 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNS(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
The InChIKey is BRSDKXVKSJTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-15(2)10(16)13-5-6-14-19(17,18)8-3-4-12-9(11)7-8/h3-4,7,14H,5-6H2,1-2H3,(H2,11,12)(H,13,16).
What are the key properties of 3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea?
3-[2-[(2-amino-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea has a molecular weight of 287.35 g/mol, XLogP of -0.79, 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-4-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83115602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).