N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C18H29N3O3S — CID 133308701

IUPACN-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCOC2CCCCCC2)nc1)N1CCCC1
InChIInChI=1S/C18H29N3O3S/c22-25(23,21-12-5-6-13-21)17-9-10-18(20-15-17)19-11-14-24-16-7-3-1-2-4-8-16/h9-10,15-16H,1-8,11-14H2,(H,19,20)
InChIKeyHERYWIUTKXKNHW-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.02
Rot. Bonds7

About N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133308701) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133308701
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCCOC2CCCCCC2)nc1)N1CCCC1
InChIInChI=1S/C18H29N3O3S/c22-25(23,21-12-5-6-13-21)17-9-10-18(20-15-17)19-11-14-24-16-7-3-1-2-4-8-16/h9-10,15-16H,1-8,11-14H2,(H,19,20)
InChIKeyHERYWIUTKXKNHW-UHFFFAOYSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
N-(2-cyclohexyloxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 63829030
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133308701) is N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCCOC2CCCCCC2)nc1)N1CCCC1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is HERYWIUTKXKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c22-25(23,21-12-5-6-13-21)17-9-10-18(20-15-17)19-11-14-24-16-7-3-1-2-4-8-16/h9-10,15-16H,1-8,11-14H2,(H,19,20).
What are the key properties of N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 367.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133308701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).