N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide

C12H20N2O3S — CID 54972407

IUPACN-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCc1ccco1
InChIInChI=1S/C12H20N2O3S/c15-18(16,10-11-3-1-6-13-9-11)14-7-5-12-4-2-8-17-12/h2,4,8,11,13-14H,1,3,5-7,9-10H2
InChIKeyCMWBSTODCAGXMJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.74
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide

N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54972407) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID54972407
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCc1ccco1
InChIInChI=1S/C12H20N2O3S/c15-18(16,10-11-3-1-6-13-9-11)14-7-5-12-4-2-8-17-12/h2,4,8,11,13-14H,1,3,5-7,9-10H2
InChIKeyCMWBSTODCAGXMJ-UHFFFAOYSA-N
XLogP0.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-(furan-2-ylmethyl)piperidine-3-sulfonamide
CID 24690010
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(2-cyclopentyloxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 63829038
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 81141055
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82742611
N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
CID 80528334
N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972457

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide (CID 54972407) is N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide is O=S(=O)(CC1CCCNC1)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is CMWBSTODCAGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-18(16,10-11-3-1-6-13-9-11)14-7-5-12-4-2-8-17-12/h2,4,8,11,13-14H,1,3,5-7,9-10H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide?
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54972407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).