N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

C16H24N2O3S — CID 95202988

IUPACN-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESC/C(=C\c1ccco1)CN1CC[C@H](CNS(=O)(=O)C2CC2)C1
InChIInChI=1S/C16H24N2O3S/c1-13(9-15-3-2-8-21-15)11-18-7-6-14(12-18)10-17-22(19,20)16-4-5-16/h2-3,8-9,14,16-17H,4-7,10-12H2,1H3/b13-9+/t14-/m1/s1
InChIKeySXWUCWLHANHMLL-KADHNRKRSA-N
MW324.45 g/mol
LogP2.09
Rot. Bonds7

About N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide

N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 95202988) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
PubChem CID95202988
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
SMILESC/C(=C\c1ccco1)CN1CC[C@H](CNS(=O)(=O)C2CC2)C1
InChIInChI=1S/C16H24N2O3S/c1-13(9-15-3-2-8-21-15)11-18-7-6-14(12-18)10-17-22(19,20)16-4-5-16/h2-3,8-9,14,16-17H,4-7,10-12H2,1H3/b13-9+/t14-/m1/s1
InChIKeySXWUCWLHANHMLL-KADHNRKRSA-N
XLogP2.09
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide (CID 95202988) is N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is C/C(=C\c1ccco1)CN1CC[C@H](CNS(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is SXWUCWLHANHMLL-KADHNRKRSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(9-15-3-2-8-21-15)11-18-7-6-14(12-18)10-17-22(19,20)16-4-5-16/h2-3,8-9,14,16-17H,4-7,10-12H2,1H3/b13-9+/t14-/m1/s1.
What are the key properties of N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide?
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 95202988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).