N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

C12H21NO4S — CID 114134681

IUPACN-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C12H21NO4S/c1-4-6-10(5-2)13-18(15,16)12-7-11(8-14)17-9(12)3/h7,10,13-14H,4-6,8H2,1-3H3
InChIKeyAFXFWIUVOODZRO-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.94
Rot. Bonds7

About N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (PubChem CID 114134681) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
PubChem CID114134681
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC NameN-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CO)oc1C
InChIInChI=1S/C12H21NO4S/c1-4-6-10(5-2)13-18(15,16)12-7-11(8-14)17-9(12)3/h7,10,13-14H,4-6,8H2,1-3H3
InChIKeyAFXFWIUVOODZRO-UHFFFAOYSA-N
XLogP1.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
CID 106055474
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (CID 114134681) is N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CO)oc1C.
What is the InChIKey of N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The InChIKey is AFXFWIUVOODZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-4-6-10(5-2)13-18(15,16)12-7-11(8-14)17-9(12)3/h7,10,13-14H,4-6,8H2,1-3H3.
What are the key properties of N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 114134681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).