N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine

C15H22N2O3S — CID 66348971

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(18,19)17-8-6-13(7-9-17)16-11-14-10-12-4-2-3-5-15(12)20-14/h2-5,13-14,16H,6-11H2,1H3
InChIKeyMJTBPOPWNFDOJN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.00
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 66348971) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID66348971
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(18,19)17-8-6-13(7-9-17)16-11-14-10-12-4-2-3-5-15(12)20-14/h2-5,13-14,16H,6-11H2,1H3
InChIKeyMJTBPOPWNFDOJN-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
CID 65073328
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 75428071
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
CID 61252197
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75382521
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115708414
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione
CID 66364542
N-(1-ethylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42886348

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine (CID 66348971) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCC2Cc3ccccc3O2)CC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is MJTBPOPWNFDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(18,19)17-8-6-13(7-9-17)16-11-14-10-12-4-2-3-5-15(12)20-14/h2-5,13-14,16H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 310.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 66348971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).