N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide

C12H15NO4S2 — CID 86799275

IUPACN,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide
SMILESCc1occc1SCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C12H15NO4S2/c1-9-11(6-7-16-9)18-8-10-4-5-12(17-10)19(14,15)13(2)3/h4-7H,8H2,1-3H3
InChIKeyJEKVGHFCICHDHO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.72
Rot. Bonds5

About N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide

N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide (PubChem CID 86799275) has the molecular formula C12H15NO4S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide
PubChem CID86799275
Molecular FormulaC12H15NO4S2
Molecular Weight301.39 g/mol
Exact Mass301.04
IUPAC NameN,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide
SMILESCc1occc1SCc1ccc(S(=O)(=O)N(C)C)o1
InChIInChI=1S/C12H15NO4S2/c1-9-11(6-7-16-9)18-8-10-4-5-12(17-10)19(14,15)13(2)3/h4-7H,8H2,1-3H3
InChIKeyJEKVGHFCICHDHO-UHFFFAOYSA-N
XLogP2.72
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methanesulfonyl-2-methylfuran
CID 59742705
Phenylsulfonylmethylfuran
CID 11368038
2-(1,3-Dithiolan-2-ylidene)-2-(furan-2-ylmethylsulfonyl)acetonitrile
CID 2820066
4-((Furan-2-ylmethyl)sulfonyl)-1-((5-methylthiophen-2-yl)sulfonyl)piperidine
CID 71808916
3-((Furan-2-ylmethyl)sulfonyl)-1-(thiophen-2-ylsulfonyl)azetidine
CID 71809438
Methyl 3-((3-((furan-2-ylmethyl)sulfonyl)azetidin-1-yl)sulfonyl)thiophene-2-carboxylate
CID 71809446
3-((furan-2-ylmethyl)sulfonyl)-N,N-dimethylazetidine-1-sulfonamide
CID 71809447
1-(Cyclopropylsulfonyl)-3-((furan-2-ylmethyl)sulfonyl)pyrrolidine
CID 76147563
2-(Furfurylthio)-5-methylfuran
CID 1939127
2-(Furan-2-ylmethylsulfonylmethyl)furan
CID 10775603
2-[(E)-2-(phenylsulfonyl)ethenyl]furan
CID 15561954
3,3'-Sulfanediylbis(2-methylfuran)
CID 22472255

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide (CID 86799275) is N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide is Cc1occc1SCc1ccc(S(=O)(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide?
The InChIKey is JEKVGHFCICHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S2/c1-9-11(6-7-16-9)18-8-10-4-5-12(17-10)19(14,15)13(2)3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide?
N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-sulfonamide is sourced from PubChem (CID 86799275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).