N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride

C19H25ClN2O3S — CID 120714978

IUPACN-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1.Cl
InChIInChI=1S/C19H24N2O3S.ClH/c1-20-17-8-5-13-21(14-17)25(22,23)19-11-9-18(10-12-19)24-15-16-6-3-2-4-7-16;/h2-4,6-7,9-12,17,20H,5,8,13-15H2,1H3;1H
InChIKeyBTSUVZNPIAVVFH-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.06
Rot. Bonds6

About N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride

N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714978) has the molecular formula C19H25ClN2O3S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714978
Molecular FormulaC19H25ClN2O3S
Molecular Weight396.94 g/mol
Exact Mass396.13
IUPAC NameN-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1.Cl
InChIInChI=1S/C19H24N2O3S.ClH/c1-20-17-8-5-13-21(14-17)25(22,23)19-11-9-18(10-12-19)24-15-16-6-3-2-4-7-16;/h2-4,6-7,9-12,17,20H,5,8,13-15H2,1H3;1H
InChIKeyBTSUVZNPIAVVFH-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 155465315
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
CID 120714670
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 166042846
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 2979703

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120714978) is N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)C1.Cl.
What is the InChIKey of N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is BTSUVZNPIAVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.ClH/c1-20-17-8-5-13-21(14-17)25(22,23)19-11-9-18(10-12-19)24-15-16-6-3-2-4-7-16;/h2-4,6-7,9-12,17,20H,5,8,13-15H2,1H3;1H.
What are the key properties of N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).