[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C17H23ClN2O3S — CID 119988979

IUPAC[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2CN)c2ccccc12.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-2-22-16-9-10-17(15-8-4-3-7-14(15)16)23(20,21)19-11-5-6-13(19)12-18;/h3-4,7-10,13H,2,5-6,11-12,18H2,1H3;1H
InChIKeyYFZWFTVMKFSPLV-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.77
Rot. Bonds5

About [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119988979) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119988979
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2CN)c2ccccc12.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-2-22-16-9-10-17(15-8-4-3-7-14(15)16)23(20,21)19-11-5-6-13(19)12-18;/h3-4,7-10,13H,2,5-6,11-12,18H2,1H3;1H
InChIKeyYFZWFTVMKFSPLV-UHFFFAOYSA-N
XLogP2.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
CID 760946
1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975042
(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
CID 748027
[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711647
[1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777569
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119988696
[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711615
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119988979) is [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is CCOc1ccc(S(=O)(=O)N2CCCC2CN)c2ccccc12.Cl.
What is the InChIKey of [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is YFZWFTVMKFSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S.ClH/c1-2-22-16-9-10-17(15-8-4-3-7-14(15)16)23(20,21)19-11-5-6-13(19)12-18;/h3-4,7-10,13H,2,5-6,11-12,18H2,1H3;1H.
What are the key properties of [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
[1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxynaphthalen-1-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119988979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).