N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine

C19H31N3O3S — CID 133308692

IUPACN-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1cccnc1NCCOC1CCCCCC1)N1CCCCC1
InChIInChI=1S/C19H31N3O3S/c23-26(24,22-14-6-3-7-15-22)18-11-8-12-20-19(18)21-13-16-25-17-9-4-1-2-5-10-17/h8,11-12,17H,1-7,9-10,13-16H2,(H,20,21)
InChIKeyXWYMVYHVBOXUNF-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.41
Rot. Bonds7

About N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine

N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133308692) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID133308692
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1cccnc1NCCOC1CCCCCC1)N1CCCCC1
InChIInChI=1S/C19H31N3O3S/c23-26(24,22-14-6-3-7-15-22)18-11-8-12-20-19(18)21-13-16-25-17-9-4-1-2-5-10-17/h8,11-12,17H,1-7,9-10,13-16H2,(H,20,21)
InChIKeyXWYMVYHVBOXUNF-UHFFFAOYSA-N
XLogP3.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.41
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

3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
CID 115561614
N'-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-N-quinolin-2-ylethane-1,2-diamine
CID 133309762
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133390540
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpyridin-2-amine
CID 106588741

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine (CID 133308692) is N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1cccnc1NCCOC1CCCCCC1)N1CCCCC1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is XWYMVYHVBOXUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c23-26(24,22-14-6-3-7-15-22)18-11-8-12-20-19(18)21-13-16-25-17-9-4-1-2-5-10-17/h8,11-12,17H,1-7,9-10,13-16H2,(H,20,21).
What are the key properties of N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine?
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 381.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133308692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).