N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide

C12H24N2O2S — CID 54972021

IUPACN-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-2-8-14(12-5-6-12)17(15,16)10-11-4-3-7-13-9-11/h11-13H,2-10H2,1H3
InChIKeyIPASKAHCYSQNMI-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.19
Rot. Bonds6

About N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide

N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide (PubChem CID 54972021) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide
PubChem CID54972021
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)CC1CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-2-8-14(12-5-6-12)17(15,16)10-11-4-3-7-13-9-11/h11-13H,2-10H2,1H3
InChIKeyIPASKAHCYSQNMI-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide?
The IUPAC name of N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide (CID 54972021) is N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide is CCCN(C1CC1)S(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide?
The InChIKey is IPASKAHCYSQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-8-14(12-5-6-12)17(15,16)10-11-4-3-7-13-9-11/h11-13H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide?
N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-piperidin-3-yl-N-propylmethanesulfonamide is sourced from PubChem (CID 54972021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).