N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

C19H25ClN2O2S — CID 120998970

IUPACN-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-20-14-16-7-6-12-21(15-16)24(22,23)19-11-5-10-18(13-19)17-8-3-2-4-9-17;/h2-5,8-11,13,16,20H,6-7,12,14-15H2,1H3;1H
InChIKeyNDXSVUDZJUIUEJ-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.40
Rot. Bonds5

About N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (PubChem CID 120998970) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
PubChem CID120998970
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC NameN-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-20-14-16-7-6-12-21(15-16)24(22,23)19-11-5-10-18(13-19)17-8-3-2-4-9-17;/h2-5,8-11,13,16,20H,6-7,12,14-15H2,1H3;1H
InChIKeyNDXSVUDZJUIUEJ-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 119960974
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
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
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (CID 120998970) is N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is CNCC1CCCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The InChIKey is NDXSVUDZJUIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-20-14-16-7-6-12-21(15-16)24(22,23)19-11-5-10-18(13-19)17-8-3-2-4-9-17;/h2-5,8-11,13,16,20H,6-7,12,14-15H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120998970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).