N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide

C17H24N2O5S2 — CID 146211986

IUPACN-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(OC)C3)C1
InChIInChI=1S/C17H24N2O5S2/c1-3-25(20,21)18-11-13-6-7-19(12-13)26(22,23)17-5-4-14-8-16(24-2)9-15(14)10-17/h3-5,10,13,16,18H,1,6-9,11-12H2,2H3/t13-,16?/m1/s1
InChIKeyOWTNYVIFPZYJDN-JBZHPUCOSA-N
MW400.52 g/mol
LogP0.87
Rot. Bonds7

About N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211986) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211986
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(OC)C3)C1
InChIInChI=1S/C17H24N2O5S2/c1-3-25(20,21)18-11-13-6-7-19(12-13)26(22,23)17-5-4-14-8-16(24-2)9-15(14)10-17/h3-5,10,13,16,18H,1,6-9,11-12H2,2H3/t13-,16?/m1/s1
InChIKeyOWTNYVIFPZYJDN-JBZHPUCOSA-N
XLogP0.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
N-[[(3R)-1-[3-(hydroxyamino)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211907
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210607
2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 146210965
1-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 146210891
N-[2-(dimethylamino)ethyl]-2-[4-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 146211802
N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210402
2-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-(3-methyloxetan-3-yl)acetamide
CID 146211204

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146211986) is N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(OC)C3)C1.
What is the InChIKey of N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is OWTNYVIFPZYJDN-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-3-25(20,21)18-11-13-6-7-19(12-13)26(22,23)17-5-4-14-8-16(24-2)9-15(14)10-17/h3-5,10,13,16,18H,1,6-9,11-12H2,2H3/t13-,16?/m1/s1.
What are the key properties of N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 400.52 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).