N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride

C18H31ClN2O2S — CID 119978398

IUPACN-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1.Cl
InChIInChI=1S/C18H30N2O2S.ClH/c1-15(2)4-5-16-6-8-18(9-7-16)23(21,22)20-12-10-17(11-13-20)14-19-3;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H
InChIKeySTDUBIRMQZILSJ-UHFFFAOYSA-N
MW374.98 g/mol
LogP3.32
Rot. Bonds7

About N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119978398) has the molecular formula C18H31ClN2O2S and a molecular weight of 374.98 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119978398
Molecular FormulaC18H31ClN2O2S
Molecular Weight374.98 g/mol
Exact Mass374.18
IUPAC NameN-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1.Cl
InChIInChI=1S/C18H30N2O2S.ClH/c1-15(2)4-5-16-6-8-18(9-7-16)23(21,22)20-12-10-17(11-13-20)14-19-3;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H
InChIKeySTDUBIRMQZILSJ-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.98
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;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-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
CID 119980169
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine
CID 119961769
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119978398) is N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is STDUBIRMQZILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S.ClH/c1-15(2)4-5-16-6-8-18(9-7-16)23(21,22)20-12-10-17(11-13-20)14-19-3;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H.
What are the key properties of N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 374.98 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119978398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).