N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide

C14H26N2O4S — CID 104766789

IUPACN-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(CNCC(C)C)o1
InChIInChI=1S/C14H26N2O4S/c1-11(2)8-15-9-12-6-7-13(20-12)21(17,18)16-10-14(3,4)19-5/h6-7,11,15-16H,8-10H2,1-5H3
InChIKeyDUVDPGJTLJIYNO-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.73
Rot. Bonds9

About N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide

N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide (PubChem CID 104766789) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
PubChem CID104766789
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(CNCC(C)C)o1
InChIInChI=1S/C14H26N2O4S/c1-11(2)8-15-9-12-6-7-13(20-12)21(17,18)16-10-14(3,4)19-5/h6-7,11,15-16H,8-10H2,1-5H3
InChIKeyDUVDPGJTLJIYNO-UHFFFAOYSA-N
XLogP1.73
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide
CID 106177091
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121
5-[(2-methoxyethylamino)methyl]-N-(2-methoxypropyl)furan-2-sulfonamide
CID 102701246
N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
5-[(2,2-difluoroethylamino)methyl]-N-methylfuran-2-sulfonamide
CID 115405595
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide (CID 104766789) is N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide is COC(C)(C)CNS(=O)(=O)c1ccc(CNCC(C)C)o1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
The InChIKey is DUVDPGJTLJIYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-11(2)8-15-9-12-6-7-13(20-12)21(17,18)16-10-14(3,4)19-5/h6-7,11,15-16H,8-10H2,1-5H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide?
N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-5-[(2-methylpropylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 104766789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).