N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine

C16H26N2O3S — CID 120714670

IUPACN-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)C1
InChIInChI=1S/C16H26N2O3S/c1-13(2)12-21-15-6-8-16(9-7-15)22(19,20)18-10-4-5-14(11-18)17-3/h6-9,13-14,17H,4-5,10-12H2,1-3H3
InChIKeyCQMZMERDTQVBBM-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.09
Rot. Bonds6

About N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine

N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine (PubChem CID 120714670) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
PubChem CID120714670
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)C1
InChIInChI=1S/C16H26N2O3S/c1-13(2)12-21-15-6-8-16(9-7-15)22(19,20)18-10-4-5-14(11-18)17-3/h6-9,13-14,17H,4-5,10-12H2,1-3H3
InChIKeyCQMZMERDTQVBBM-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
[1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61408929
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine?
The IUPAC name of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine (CID 120714670) is N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(OCC(C)C)cc2)C1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine?
The InChIKey is CQMZMERDTQVBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)12-21-15-6-8-16(9-7-15)22(19,20)18-10-4-5-14(11-18)17-3/h6-9,13-14,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine?
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine has a molecular weight of 326.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-3-amine is sourced from PubChem (CID 120714670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).