5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide

C16H23N3O3S — CID 126824589

IUPAC5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)o1)C(c1ccccc1)N(C)C
InChIInChI=1S/C16H23N3O3S/c1-12(16(19(2)3)13-7-5-4-6-8-13)18-11-14-9-10-15(22-14)23(17,20)21/h4-10,12,16,18H,11H2,1-3H3,(H2,17,20,21)
InChIKeyUHYJRTBWMUKVKF-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.71
Rot. Bonds7

About 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide

5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide (PubChem CID 126824589) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide
PubChem CID126824589
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide
SMILESCC(NCc1ccc(S(N)(=O)=O)o1)C(c1ccccc1)N(C)C
InChIInChI=1S/C16H23N3O3S/c1-12(16(19(2)3)13-7-5-4-6-8-13)18-11-14-9-10-15(22-14)23(17,20)21/h4-10,12,16,18H,11H2,1-3H3,(H2,17,20,21)
InChIKeyUHYJRTBWMUKVKF-UHFFFAOYSA-N
XLogP1.71
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide (CID 126824589) is 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide is CC(NCc1ccc(S(N)(=O)=O)o1)C(c1ccccc1)N(C)C.
What is the InChIKey of 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide?
The InChIKey is UHYJRTBWMUKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(16(19(2)3)13-7-5-4-6-8-13)18-11-14-9-10-15(22-14)23(17,20)21/h4-10,12,16,18H,11H2,1-3H3,(H2,17,20,21).
What are the key properties of 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide?
5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 126824589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).