N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine

C17H28N2O2S — CID 119980169

IUPACN-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-14(2)4-5-15-6-8-17(9-7-15)22(20,21)19-12-10-16(18-3)11-13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyZMAVHJJBAKPFTR-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine

N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 119980169) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
PubChem CID119980169
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-14(2)4-5-15-6-8-17(9-7-15)22(20,21)19-12-10-16(18-3)11-13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyZMAVHJJBAKPFTR-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978398
1-[4-(3-methylbutyl)phenyl]sulfonylpiperazine
CID 119961769
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-[1-[4-(2-chloroethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 103834553
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 24677488

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine (CID 119980169) is N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1.
What is the InChIKey of N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is ZMAVHJJBAKPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-14(2)4-5-15-6-8-17(9-7-15)22(20,21)19-12-10-16(18-3)11-13-19/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine?
N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 324.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 119980169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).