N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

C17H29ClN2O3S — CID 119960899

IUPACN-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)C1.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-13(2)22-17-8-7-16(10-14(17)3)23(20,21)19-9-5-6-15(12-19)11-18-4;/h7-8,10,13,15,18H,5-6,9,11-12H2,1-4H3;1H
InChIKeyOHWLDJGRHXQHDB-UHFFFAOYSA-N
MW376.95 g/mol
LogP2.82
Rot. Bonds6

About N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (PubChem CID 119960899) has the molecular formula C17H29ClN2O3S and a molecular weight of 376.95 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
PubChem CID119960899
Molecular FormulaC17H29ClN2O3S
Molecular Weight376.95 g/mol
Exact Mass376.16
IUPAC NameN-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)C1.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-13(2)22-17-8-7-16(10-14(17)3)23(20,21)19-9-5-6-15(12-19)11-18-4;/h7-8,10,13,15,18H,5-6,9,11-12H2,1-4H3;1H
InChIKeyOHWLDJGRHXQHDB-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120999026
1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961088
1-[(3S)-1-(3,4-diethoxyphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124683067
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
2-chloro-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119961304
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961182
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (CID 119960899) is N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is CNCC1CCCN(S(=O)(=O)c2ccc(OC(C)C)c(C)c2)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The InChIKey is OHWLDJGRHXQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S.ClH/c1-13(2)22-17-8-7-16(10-14(17)3)23(20,21)19-9-5-6-15(12-19)11-18-4;/h7-8,10,13,15,18H,5-6,9,11-12H2,1-4H3;1H.
What are the key properties of N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119960899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).