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

C12H22N2O3S — CID 106055327

IUPAC5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C12H22N2O3S/c1-4-6-10(5-2)14-18(15,16)12-7-11(8-13)17-9(12)3/h7,10,14H,4-6,8,13H2,1-3H3
InChIKeyUVWKYKJCAMPENV-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.90
Rot. Bonds7

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

5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide (PubChem CID 106055327) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
PubChem CID106055327
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C12H22N2O3S/c1-4-6-10(5-2)14-18(15,16)12-7-11(8-13)17-9(12)3/h7,10,14H,4-6,8,13H2,1-3H3
InChIKeyUVWKYKJCAMPENV-UHFFFAOYSA-N
XLogP1.90
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
CID 106062422
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide (CID 106055327) is 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CN)oc1C.
What is the InChIKey of 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide?
The InChIKey is UVWKYKJCAMPENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-4-6-10(5-2)14-18(15,16)12-7-11(8-13)17-9(12)3/h7,10,14H,4-6,8,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide?
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106055327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).