1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride

C18H23ClF2N2O3S — CID 120714610

IUPAC1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)C1.Cl
InChIInChI=1S/C18H22F2N2O3S.ClH/c1-21-13-5-4-10-22(11-13)26(23,24)17-9-8-16(25-12-18(19)20)14-6-2-3-7-15(14)17;/h2-3,6-9,13,18,21H,4-5,10-12H2,1H3;1H
InChIKeySEIWMSYCTMUDGJ-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.28
Rot. Bonds6

About 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride

1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 120714610) has the molecular formula C18H23ClF2N2O3S and a molecular weight of 420.91 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
PubChem CID120714610
Molecular FormulaC18H23ClF2N2O3S
Molecular Weight420.91 g/mol
Exact Mass420.11
IUPAC Name1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)C1.Cl
InChIInChI=1S/C18H22F2N2O3S.ClH/c1-21-13-5-4-10-22(11-13)26(23,24)17-9-8-16(25-12-18(19)20)14-6-2-3-7-15(14)17;/h2-3,6-9,13,18,21H,4-5,10-12H2,1H3;1H
InChIKeySEIWMSYCTMUDGJ-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
(3S)-1-(4-methoxynaphthalen-1-yl)sulfonyl-3-methylpiperidine
CID 39617509
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
methyl 5-[3-(methylamino)piperidin-1-yl]sulfonylisoquinoline-1-carboxylate
CID 120715107
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
1-[1-(4-ethoxynaphthalen-1-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975042
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714814
1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride (CID 120714610) is 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2ccc(OCC(F)F)c3ccccc23)C1.Cl.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is SEIWMSYCTMUDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3S.ClH/c1-21-13-5-4-10-22(11-13)26(23,24)17-9-8-16(25-12-18(19)20)14-6-2-3-7-15(14)17;/h2-3,6-9,13,18,21H,4-5,10-12H2,1H3;1H.
What are the key properties of 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride?
1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 420.91 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)naphthalen-1-yl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).