N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

C14H18N2O3S — CID 164634528

IUPACN-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(Cc2coc3ccccc23)C1
InChIInChI=1S/C14H18N2O3S/c1-20(17,18)15-12-6-7-16(9-12)8-11-10-19-14-5-3-2-4-13(11)14/h2-5,10,12,15H,6-9H2,1H3/t12-/m0/s1
InChIKeyWJBHSVHRTOQZEJ-LBPRGKRZSA-N
MW294.38 g/mol
LogP1.56
Rot. Bonds4

About N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 164634528) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID164634528
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCN(Cc2coc3ccccc23)C1
InChIInChI=1S/C14H18N2O3S/c1-20(17,18)15-12-6-7-16(9-12)8-11-10-19-14-5-3-2-4-13(11)14/h2-5,10,12,15H,6-9H2,1H3/t12-/m0/s1
InChIKeyWJBHSVHRTOQZEJ-LBPRGKRZSA-N
XLogP1.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (CID 164634528) is N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCN(Cc2coc3ccccc23)C1.
What is the InChIKey of N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WJBHSVHRTOQZEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20(17,18)15-12-6-7-16(9-12)8-11-10-19-14-5-3-2-4-13(11)14/h2-5,10,12,15H,6-9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-benzofuran-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).