3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C13H22N2O3S — CID 91837582

IUPAC3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCC1c1ccco1
InChIInChI=1S/C13H22N2O3S/c1-14(2)19(16,17)11-5-9-15-8-3-6-12(15)13-7-4-10-18-13/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3
InChIKeyURENUZGVRGXZFI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.70
Rot. Bonds6

About 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91837582) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91837582
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCCC1c1ccco1
InChIInChI=1S/C13H22N2O3S/c1-14(2)19(16,17)11-5-9-15-8-3-6-12(15)13-7-4-10-18-13/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3
InChIKeyURENUZGVRGXZFI-UHFFFAOYSA-N
XLogP1.70
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166536
N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
1-(4-ethylsulfonylphenyl)-2-(furan-2-yl)pyrrolidine
CID 102562304
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 91837582) is 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCCC1c1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is URENUZGVRGXZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-14(2)19(16,17)11-5-9-15-8-3-6-12(15)13-7-4-10-18-13/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91837582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).