N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide

C15H30N2O3S — CID 121109559

IUPACN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-12-21(18,19)16-13-14-4-8-17(9-5-14)15-6-10-20-11-7-15/h14-16H,2-13H2,1H3
InChIKeyOPIHFCPWPHAKNQ-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.60
Rot. Bonds7

About N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide (PubChem CID 121109559) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide
PubChem CID121109559
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-12-21(18,19)16-13-14-4-8-17(9-5-14)15-6-10-20-11-7-15/h14-16H,2-13H2,1H3
InChIKeyOPIHFCPWPHAKNQ-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide (CID 121109559) is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide?
The InChIKey is OPIHFCPWPHAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-2-3-12-21(18,19)16-13-14-4-8-17(9-5-14)15-6-10-20-11-7-15/h14-16H,2-13H2,1H3.
What are the key properties of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide?
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 121109559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).