2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine

C15H31N3O2S — CID 63878573

IUPAC2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-14(2)12-16-13-15-6-10-18(11-7-15)21(19,20)17-8-4-3-5-9-17/h14-16H,3-13H2,1-2H3
InChIKeyYLPCOJPVHIMOOG-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.67
Rot. Bonds6

About 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine

2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 63878573) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID63878573
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-14(2)12-16-13-15-6-10-18(11-7-15)21(19,20)17-8-4-3-5-9-17/h14-16H,3-13H2,1-2H3
InChIKeyYLPCOJPVHIMOOG-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 63878251
2-methyl-N-[[1-(methylsulfonylmethylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 82843502
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine (CID 63878573) is 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine is CC(C)CNCC1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is YLPCOJPVHIMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-14(2)12-16-13-15-6-10-18(11-7-15)21(19,20)17-8-4-3-5-9-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine?
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63878573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).