2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine

C15H30N2O3S — CID 63878590

IUPAC2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-13(2)10-16-11-14-4-3-7-17(12-14)21(18,19)15-5-8-20-9-6-15/h13-16H,3-12H2,1-2H3
InChIKeyCWQFGHSRIRQHOA-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.45
Rot. Bonds6

About 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 63878590) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID63878590
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-13(2)10-16-11-14-4-3-7-17(12-14)21(18,19)15-5-8-20-9-6-15/h13-16H,3-12H2,1-2H3
InChIKeyCWQFGHSRIRQHOA-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine (CID 63878590) is 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine is CC(C)CNCC1CCCN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is CWQFGHSRIRQHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13(2)10-16-11-14-4-3-7-17(12-14)21(18,19)15-5-8-20-9-6-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 318.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63878590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).