N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

C12H22N2O4S — CID 102701241

IUPACN-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(CNC(C)C)o1
InChIInChI=1S/C12H22N2O4S/c1-9(2)13-8-11-5-6-12(18-11)19(15,16)14-7-10(3)17-4/h5-6,9-10,13-14H,7-8H2,1-4H3
InChIKeySFAUSBIXAPAYOK-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.09
Rot. Bonds8

About N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide

N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (PubChem CID 102701241) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
PubChem CID102701241
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(CNC(C)C)o1
InChIInChI=1S/C12H22N2O4S/c1-9(2)13-8-11-5-6-12(18-11)19(15,16)14-7-10(3)17-4/h5-6,9-10,13-14H,7-8H2,1-4H3
InChIKeySFAUSBIXAPAYOK-UHFFFAOYSA-N
XLogP1.09
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088603
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 106177078
5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 104766789
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide (CID 102701241) is N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is COC(C)CNS(=O)(=O)c1ccc(CNC(C)C)o1.
What is the InChIKey of N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
The InChIKey is SFAUSBIXAPAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9(2)13-8-11-5-6-12(18-11)19(15,16)14-7-10(3)17-4/h5-6,9-10,13-14H,7-8H2,1-4H3.
What are the key properties of N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide?
N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 102701241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).