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

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Related Compounds

[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95192328
N-[[1-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 56747250
(2S)-4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(2-methoxyethyl)morpholine
CID 95147358
(3R,4R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 56709992
4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 75100512
methyl 2-[4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperazin-1-yl]-6-methylpyrimidine-4-carboxylate
CID 56878278
4-methoxy-N-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 45226658
4-[(2S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95127074
N-[1-(furan-2-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55168863
[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol
CID 50964237
3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139409

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).