1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide

C14H28N2O3S — CID 119042780

IUPAC1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C14H28N2O3S/c1-2-10-16(13-6-8-15-9-7-13)20(17,18)12-14-5-3-4-11-19-14/h13-15H,2-12H2,1H3
InChIKeySFUUNDPFYDMQQR-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.35
Rot. Bonds6

About 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide

1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide (PubChem CID 119042780) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
PubChem CID119042780
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)CC1CCCCO1
InChIInChI=1S/C14H28N2O3S/c1-2-10-16(13-6-8-15-9-7-13)20(17,18)12-14-5-3-4-11-19-14/h13-15H,2-12H2,1H3
InChIKeySFUUNDPFYDMQQR-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
The IUPAC name of 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide (CID 119042780) is 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
The canonical SMILES for 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
The InChIKey is SFUUNDPFYDMQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-2-10-16(13-6-8-15-9-7-13)20(17,18)12-14-5-3-4-11-19-14/h13-15H,2-12H2,1H3.
What are the key properties of 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide is sourced from PubChem (CID 119042780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).