N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H22N2O3S — CID 79701893

IUPACN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O3S/c1-17(11-12-4-7-16-8-5-12)21(18,19)14-2-3-15-13(10-14)6-9-20-15/h2-3,10,12,16H,4-9,11H2,1H3
InChIKeyHEFUDVMGCHJFSY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.24
Rot. Bonds4

About N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 79701893) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID79701893
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O3S/c1-17(11-12-4-7-16-8-5-12)21(18,19)14-2-3-15-13(10-14)6-9-20-15/h2-3,10,12,16H,4-9,11H2,1H3
InChIKeyHEFUDVMGCHJFSY-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 79701893) is N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(CC1CCNCC1)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is HEFUDVMGCHJFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(11-12-4-7-16-8-5-12)21(18,19)14-2-3-15-13(10-14)6-9-20-15/h2-3,10,12,16H,4-9,11H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 79701893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).