N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine

C18H24N2O3S — CID 97102496

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine
SMILESC[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C18H24N2O3S/c1-13(18-12-14-4-2-3-5-17(14)23-18)19-15-8-10-20(11-9-15)24(21,22)16-6-7-16/h2-5,12-13,15-16,19H,6-11H2,1H3/t13-/m1/s1
InChIKeyGSMLVEHEFMYOKP-CYBMUJFWSA-N
MW348.47 g/mol
LogP3.04
Rot. Bonds5

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine (PubChem CID 97102496) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine
PubChem CID97102496
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine
SMILESC[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C18H24N2O3S/c1-13(18-12-14-4-2-3-5-17(14)23-18)19-15-8-10-20(11-9-15)24(21,22)16-6-7-16/h2-5,12-13,15-16,19H,6-11H2,1H3/t13-/m1/s1
InChIKeyGSMLVEHEFMYOKP-CYBMUJFWSA-N
XLogP3.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
1-cyclopropylsulfonyl-N-[(1S)-1-(5-ethylfuran-2-yl)ethyl]piperidin-4-amine
CID 97102498
N-[1-(1-benzofuran-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298491
(3R)-3-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 97103014
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585216
1-(benzenesulfonyl)-N-[1-(1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 55389739
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006
N-[1-(1-benzofuran-2-yl)ethyl]-5,5-dimethylthian-3-amine
CID 79959026
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
methyl 2-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 39966547

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine (CID 97102496) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine is C[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine?
The InChIKey is GSMLVEHEFMYOKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13(18-12-14-4-2-3-5-17(14)23-18)19-15-8-10-20(11-9-15)24(21,22)16-6-7-16/h2-5,12-13,15-16,19H,6-11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine has a molecular weight of 348.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-cyclopropylsulfonylpiperidin-4-amine is sourced from PubChem (CID 97102496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).