N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine

C13H23N5O2S — CID 63539689

IUPACN,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cccnc2NN)C1
InChIInChI=1S/C13H23N5O2S/c1-3-17(4-2)11-7-9-18(10-11)21(19,20)12-6-5-8-15-13(12)16-14/h5-6,8,11H,3-4,7,9-10,14H2,1-2H3,(H,15,16)
InChIKeySSOZAYFVRSCVOB-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.47
Rot. Bonds6

About N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine

N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine (PubChem CID 63539689) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine
PubChem CID63539689
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC NameN,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cccnc2NN)C1
InChIInChI=1S/C13H23N5O2S/c1-3-17(4-2)11-7-9-18(10-11)21(19,20)12-6-5-8-15-13(12)16-14/h5-6,8,11H,3-4,7,9-10,14H2,1-2H3,(H,15,16)
InChIKeySSOZAYFVRSCVOB-UHFFFAOYSA-N
XLogP0.47
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
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

1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpyrrolidin-3-amine
CID 63541851
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
1-[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 112626122
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 106670062
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
[3-(4-methylsulfonylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62992566
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 61442880
3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one
CID 63603348
[3-(2-ethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 60974921
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-3-ol
CID 102964473
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 63174779

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine (CID 63539689) is N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cccnc2NN)C1.
What is the InChIKey of N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine?
The InChIKey is SSOZAYFVRSCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-3-17(4-2)11-7-9-18(10-11)21(19,20)12-6-5-8-15-13(12)16-14/h5-6,8,11H,3-4,7,9-10,14H2,1-2H3,(H,15,16).
What are the key properties of N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine?
N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine has a molecular weight of 313.43 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-amine is sourced from PubChem (CID 63539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).