2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride

C11H14ClNO4S — CID 98113238

IUPAC2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO4S/c1-7-3-4-13(6-7)11(14)9-5-10(8(2)17-9)18(12,15)16/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyBLYWVFAYVHXOCH-SSDOTTSWSA-N
MW291.76 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride

2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride (PubChem CID 98113238) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
PubChem CID98113238
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO4S/c1-7-3-4-13(6-7)11(14)9-5-10(8(2)17-9)18(12,15)16/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeyBLYWVFAYVHXOCH-SSDOTTSWSA-N
XLogP2.00
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
(3R)-1-(5-methyl-4-sulfamoylfuran-2-carbonyl)piperidine-3-carboxylic acid
CID 125132918
5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65371452
5-(2-ethylazepane-1-carbonyl)-2-methylfuran-3-sulfonyl chloride
CID 104692762
2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
[3-(methylamino)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119488674
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 65387146
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
CID 65371404
2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride (CID 98113238) is 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride is Cc1oc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride?
The InChIKey is BLYWVFAYVHXOCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7-3-4-13(6-7)11(14)9-5-10(8(2)17-9)18(12,15)16/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride?
2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride has a molecular weight of 291.76 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride is sourced from PubChem (CID 98113238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).