2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline

C14H24N4O2S — CID 105223840

IUPAC2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
SMILESCS(=O)(=O)N1CCCC(CC(NN)c2ccccc2N)C1
InChIInChI=1S/C14H24N4O2S/c1-21(19,20)18-8-4-5-11(10-18)9-14(17-16)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10,15-16H2,1H3
InChIKeyRCDUNQQJZKYPBX-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.83
Rot. Bonds5

About 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline

2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline (PubChem CID 105223840) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
PubChem CID105223840
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
SMILESCS(=O)(=O)N1CCCC(CC(NN)c2ccccc2N)C1
InChIInChI=1S/C14H24N4O2S/c1-21(19,20)18-8-4-5-11(10-18)9-14(17-16)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10,15-16H2,1H3
InChIKeyRCDUNQQJZKYPBX-UHFFFAOYSA-N
XLogP0.83
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011134
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
[1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
[1-(3-fluoro-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105257833
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
[1-(3-methoxythiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322822
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline (CID 105223840) is 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline is CS(=O)(=O)N1CCCC(CC(NN)c2ccccc2N)C1.
What is the InChIKey of 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline?
The InChIKey is RCDUNQQJZKYPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-21(19,20)18-8-4-5-11(10-18)9-14(17-16)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10,15-16H2,1H3.
What are the key properties of 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline?
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline has a molecular weight of 312.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 105223840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).