N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine

C16H26N2O2S — CID 60873418

IUPACN-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
SMILESCCC(NC)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-4-16(17-3)14-8-5-9-15(11-14)21(19,20)18-10-6-7-13(2)12-18/h5,8-9,11,13,16-17H,4,6-7,10,12H2,1-3H3
InChIKeyIUAMPRFQDVYJKY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine

N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine (PubChem CID 60873418) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
PubChem CID60873418
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
SMILESCCC(NC)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-4-16(17-3)14-8-5-9-15(11-14)21(19,20)18-10-6-7-13(2)12-18/h5,8-9,11,13,16-17H,4,6-7,10,12H2,1-3H3
InChIKeyIUAMPRFQDVYJKY-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide
CID 25490480
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60872652
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
N-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 55044279
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine (CID 60873418) is N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine is CCC(NC)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
The InChIKey is IUAMPRFQDVYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-16(17-3)14-8-5-9-15(11-14)21(19,20)18-10-6-7-13(2)12-18/h5,8-9,11,13,16-17H,4,6-7,10,12H2,1-3H3.
What are the key properties of N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine?
N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine has a molecular weight of 310.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine is sourced from PubChem (CID 60873418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).