[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

C15H19N3O6S — CID 55643970

IUPAC[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C15H19N3O6S/c1-10(13(19)18-15(9-16)7-3-2-4-8-15)23-14(20)11-5-6-12(24-11)25(17,21)22/h5-6,10H,2-4,7-8H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyUWZSHRFERUAUFF-UHFFFAOYSA-N
MW369.40 g/mol
LogP0.81
Rot. Bonds5

About [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643970) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643970
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C15H19N3O6S/c1-10(13(19)18-15(9-16)7-3-2-4-8-15)23-14(20)11-5-6-12(24-11)25(17,21)22/h5-6,10H,2-4,7-8H2,1H3,(H,18,19)(H2,17,21,22)
InChIKeyUWZSHRFERUAUFF-UHFFFAOYSA-N
XLogP0.81
TPSA152.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814385
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193924
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753100
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 8524931
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514652
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 7725085
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-chloro-2-hydroxybenzoate
CID 8604222
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7968119
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814882
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 7149283
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568258

Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (CID 55643970) is [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is CC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is UWZSHRFERUAUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-10(13(19)18-15(9-16)7-3-2-4-8-15)23-14(20)11-5-6-12(24-11)25(17,21)22/h5-6,10H,2-4,7-8H2,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).