N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide

C12H19N5O3S — CID 79381730

IUPACN-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
SMILESNNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccn1
InChIInChI=1S/C12H19N5O3S/c13-17-11-8-10(5-7-14-11)21(19,20)15-6-1-2-12(18)16-9-3-4-9/h5,7-9,15H,1-4,6,13H2,(H,14,17)(H,16,18)
InChIKeyVBWKAFAHPUARKQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.30
Rot. Bonds8

About N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide

N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide (PubChem CID 79381730) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
PubChem CID79381730
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC NameN-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
SMILESNNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccn1
InChIInChI=1S/C12H19N5O3S/c13-17-11-8-10(5-7-14-11)21(19,20)15-6-1-2-12(18)16-9-3-4-9/h5,7-9,15H,1-4,6,13H2,(H,14,17)(H,16,18)
InChIKeyVBWKAFAHPUARKQ-UHFFFAOYSA-N
XLogP-0.30
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.30
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

4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
N-(2-cyclopentylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 54895638
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-hydrazinylpyridine-4-sulfonamide
CID 114132997
N-tert-butyl-2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]acetamide
CID 115356562
3-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167516
2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-sulfonamide
CID 80601215
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 61004239
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide (CID 79381730) is N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide is NNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccn1.
What is the InChIKey of N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide?
The InChIKey is VBWKAFAHPUARKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c13-17-11-8-10(5-7-14-11)21(19,20)15-6-1-2-12(18)16-9-3-4-9/h5,7-9,15H,1-4,6,13H2,(H,14,17)(H,16,18).
What are the key properties of N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide?
N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide has a molecular weight of 313.38 g/mol, XLogP of -0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide is sourced from PubChem (CID 79381730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).