[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C19H31N3O4S — CID 96528122

IUPAC[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(CN2CCC[C@H]2CN2CCC[C@@H]2CO)o1)N1CCCC1
InChIInChI=1S/C19H31N3O4S/c23-15-17-6-4-9-20(17)13-16-5-3-10-21(16)14-18-7-8-19(26-18)27(24,25)22-11-1-2-12-22/h7-8,16-17,23H,1-6,9-15H2/t16-,17+/m0/s1
InChIKeySYZYVWLSCJWUMA-DLBZAZTESA-N
MW397.54 g/mol
LogP1.49
Rot. Bonds7

About [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 96528122) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID96528122
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(CN2CCC[C@H]2CN2CCC[C@@H]2CO)o1)N1CCCC1
InChIInChI=1S/C19H31N3O4S/c23-15-17-6-4-9-20(17)13-16-5-3-10-21(16)14-18-7-8-19(26-18)27(24,25)22-11-1-2-12-22/h7-8,16-17,23H,1-6,9-15H2/t16-,17+/m0/s1
InChIKeySYZYVWLSCJWUMA-DLBZAZTESA-N
XLogP1.49
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

3-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103038
(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910850
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 94178041
2-(3,5-dimethylphenyl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidine
CID 86952087
[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 56578897
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221
5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-2-carbonitrile
CID 103881856
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 111111607
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine
CID 97076108
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
5-methyl-3-[[4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 47038783
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 96528122) is [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(CN2CCC[C@H]2CN2CCC[C@@H]2CO)o1)N1CCCC1.
What is the InChIKey of [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is SYZYVWLSCJWUMA-DLBZAZTESA-N. The full InChI is InChI=1S/C19H31N3O4S/c23-15-17-6-4-9-20(17)13-16-5-3-10-21(16)14-18-7-8-19(26-18)27(24,25)22-11-1-2-12-22/h7-8,16-17,23H,1-6,9-15H2/t16-,17+/m0/s1.
What are the key properties of [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 397.54 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 96528122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).