N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine

C22H34N2O3S — CID 69144090

About N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine

N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine (PubChem CID 69144090) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine
• PubChem CID: 69144090
• Molecular Formula: C22H34N2O3S
• Molecular Weight: 406.59 g/mol
• Exact Mass: 406.23
• IUPAC Name: N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine
• SMILES: CC(Cc1ccc2c(c1)OCC2)N(CC1CC1)C(C1CCNCC1)S(C)(=O)=O
• InChI: InChI=1S/C22H34N2O3S/c1-16(13-18-5-6-19-9-12-27-21(19)14-18)24(15-17-3-4-17)22(28(2,25)26)20-7-10-23-11-8-20/h5-6,14,16-17,20,22-23H,3-4,7-13,15H2,1-2H3
• InChIKey: DOCABCGXTUUCTH-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.59
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine?

The IUPAC name of N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine (CID 69144090) is N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine.

What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine?

The canonical SMILES for N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine is CC(Cc1ccc2c(c1)OCC2)N(CC1CC1)C(C1CCNCC1)S(C)(=O)=O.

What is the InChIKey of N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine?

The InChIKey is DOCABCGXTUUCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-16(13-18-5-6-19-9-12-27-21(19)14-18)24(15-17-3-4-17)22(28(2,25)26)20-7-10-23-11-8-20/h5-6,14,16-17,20,22-23H,3-4,7-13,15H2,1-2H3.

What are the key properties of N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine?

N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine has a molecular weight of 406.59 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-6-yl)-N-[methylsulfonyl(piperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 69144090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).