N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine

C15H31N3O2S — CID 83045255

IUPACN-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C15H31N3O2S/c1-3-7-15-9-4-5-11-18(15)21(19,20)17-10-6-8-14(13-17)12-16-2/h14-16H,3-13H2,1-2H3
InChIKeyLIIWBSSECAFWHG-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.82
Rot. Bonds6

About N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine

N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 83045255) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID83045255
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C15H31N3O2S/c1-3-7-15-9-4-5-11-18(15)21(19,20)17-10-6-8-14(13-17)12-16-2/h14-16H,3-13H2,1-2H3
InChIKeyLIIWBSSECAFWHG-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124778549
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
1-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 79936055
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
N-methyl-1-[(2R)-1-[(2S)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 124687548
N-methyl-1-[(2R)-1-[(2R)-2-methylmorpholin-4-yl]sulfonylpyrrolidin-2-yl]methanamine
CID 125147172
1-[1-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 103541585
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine (CID 83045255) is N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine is CCCC1CCCCN1S(=O)(=O)N1CCCC(CNC)C1.
What is the InChIKey of N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is LIIWBSSECAFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-7-15-9-4-5-11-18(15)21(19,20)17-10-6-8-14(13-17)12-16-2/h14-16H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine?
N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 317.50 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 83045255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).