3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide

C13H23N5O2S — CID 103301342

IUPAC3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ncccc2NN)C1
InChIInChI=1S/C13H23N5O2S/c1-10(2)18-7-5-11(9-18)8-16-21(19,20)13-12(17-14)4-3-6-15-13/h3-4,6,10-11,16-17H,5,7-9,14H2,1-2H3
InChIKeyDOOMTZALYQQEJU-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.38
Rot. Bonds6

About 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide

3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103301342) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
PubChem CID103301342
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2ncccc2NN)C1
InChIInChI=1S/C13H23N5O2S/c1-10(2)18-7-5-11(9-18)8-16-21(19,20)13-12(17-14)4-3-6-15-13/h3-4,6,10-11,16-17H,5,7-9,14H2,1-2H3
InChIKeyDOOMTZALYQQEJU-UHFFFAOYSA-N
XLogP0.38
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300867
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62158541
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103301265
3-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305202
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103299286
[2-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103302119
3-hydrazinyl-N-(7-methyloctyl)pyridine-2-sulfonamide
CID 107816644
[2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-pyridinyl]hydrazine
CID 103301600
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
N-(2,2-difluoroethyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301882
N-[(4-ethylphenyl)methyl]-3-hydrazinylpyridine-2-sulfonamide
CID 106900188

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide (CID 103301342) is 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2ncccc2NN)C1.
What is the InChIKey of 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is DOOMTZALYQQEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-10(2)18-7-5-11(9-18)8-16-21(19,20)13-12(17-14)4-3-6-15-13/h3-4,6,10-11,16-17H,5,7-9,14H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide?
3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103301342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).