N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide

C12H16N2O6S2 — CID 124849735

IUPACN-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1ccco1)N(C)S(=O)(=O)c1ccco1
InChIInChI=1S/C12H16N2O6S2/c1-10(9-13-21(15,16)11-5-3-7-19-11)14(2)22(17,18)12-6-4-8-20-12/h3-8,10,13H,9H2,1-2H3/t10-/m0/s1
InChIKeyPHNOJOAQUSDYPO-JTQLQIEISA-N
MW348.40 g/mol
LogP0.86
Rot. Bonds7

About N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide

N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide (PubChem CID 124849735) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide
PubChem CID124849735
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC NameN-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1ccco1)N(C)S(=O)(=O)c1ccco1
InChIInChI=1S/C12H16N2O6S2/c1-10(9-13-21(15,16)11-5-3-7-19-11)14(2)22(17,18)12-6-4-8-20-12/h3-8,10,13H,9H2,1-2H3/t10-/m0/s1
InChIKeyPHNOJOAQUSDYPO-JTQLQIEISA-N
XLogP0.86
TPSA109.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(azetidin-3-yl)furan-2-sulfonamide
CID 121553947
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
CID 120876971
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
N-pentylfuran-2-sulfonamide
CID 21064582
1-(Furan-3-sulfonyl)piperazine
CID 54594774
N-propan-2-ylfuran-2-sulfonamide
CID 57538871
N-ethylfuran-3-sulfonamide
CID 59254919
N-butylfuran-2-sulfonamide
CID 70503543
Furan;1-(furan-2-ylsulfonyl)-3-hydroxy-1-propan-2-ylurea
CID 88173790
(2S)-N-(furan-2-ylsulfonyl)pyrrolidine-2-carboxamide
CID 102391407
N-[[(3R)-1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210573
N-[[1-(furan-2-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211262

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide?
The IUPAC name of N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide (CID 124849735) is N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide is C[C@@H](CNS(=O)(=O)c1ccco1)N(C)S(=O)(=O)c1ccco1.
What is the InChIKey of N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide?
The InChIKey is PHNOJOAQUSDYPO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O6S2/c1-10(9-13-21(15,16)11-5-3-7-19-11)14(2)22(17,18)12-6-4-8-20-12/h3-8,10,13H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide?
N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide has a molecular weight of 348.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide is sourced from PubChem (CID 124849735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).