N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride

C16H28ClN3O2S — CID 119978372

IUPACN,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-13-5-6-15(11-16(13)18(3)4)22(20,21)19-9-7-14(8-10-19)12-17-2;/h5-6,11,14,17H,7-10,12H2,1-4H3;1H
InChIKeyVPHVKFZWDSZRIN-UHFFFAOYSA-N
MW361.94 g/mol
LogP2.10
Rot. Bonds5

About N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride

N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride (PubChem CID 119978372) has the molecular formula C16H28ClN3O2S and a molecular weight of 361.94 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
PubChem CID119978372
Molecular FormulaC16H28ClN3O2S
Molecular Weight361.94 g/mol
Exact Mass361.16
IUPAC NameN,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-13-5-6-15(11-16(13)18(3)4)22(20,21)19-9-7-14(8-10-19)12-17-2;/h5-6,11,14,17H,7-10,12H2,1-4H3;1H
InChIKeyVPHVKFZWDSZRIN-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120875001
1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120714488
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709764
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylisoindole-1,3-dione
CID 119978462
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539383
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
2-chloro-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 115752381

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride?
The IUPAC name of N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride (CID 119978372) is N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride.
What is the SMILES notation for N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride?
The canonical SMILES for N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride is CNCC1CCN(S(=O)(=O)c2ccc(C)c(N(C)C)c2)CC1.Cl.
What is the InChIKey of N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride?
The InChIKey is VPHVKFZWDSZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.ClH/c1-13-5-6-15(11-16(13)18(3)4)22(20,21)19-9-7-14(8-10-19)12-17-2;/h5-6,11,14,17H,7-10,12H2,1-4H3;1H.
What are the key properties of N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride?
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride has a molecular weight of 361.94 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride is sourced from PubChem (CID 119978372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).