2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran

C10H19N3O3S — CID 112686122

IUPAC2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
SMILESCc1ccc(CN(CCN(C)C)S(N)(=O)=O)o1
InChIInChI=1S/C10H19N3O3S/c1-9-4-5-10(16-9)8-13(17(11,14)15)7-6-12(2)3/h4-5H,6-8H2,1-3H3,(H2,11,14,15)
InChIKeyLGCIXOCDHSBITK-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.16
Rot. Bonds6

About 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran

2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran (PubChem CID 112686122) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
PubChem CID112686122
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
SMILESCc1ccc(CN(CCN(C)C)S(N)(=O)=O)o1
InChIInChI=1S/C10H19N3O3S/c1-9-4-5-10(16-9)8-13(17(11,14)15)7-6-12(2)3/h4-5H,6-8H2,1-3H3,(H2,11,14,15)
InChIKeyLGCIXOCDHSBITK-UHFFFAOYSA-N
XLogP0.16
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propane-1-sulfonamide
CID 60959199
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55874025
2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 60529997
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 61059064
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 62559645

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran (CID 112686122) is 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran is Cc1ccc(CN(CCN(C)C)S(N)(=O)=O)o1.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran?
The InChIKey is LGCIXOCDHSBITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-9-4-5-10(16-9)8-13(17(11,14)15)7-6-12(2)3/h4-5H,6-8H2,1-3H3,(H2,11,14,15).
What are the key properties of 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran?
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran has a molecular weight of 261.35 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran is sourced from PubChem (CID 112686122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).