N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide

C11H16N2O2S — CID 114820691

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
SMILESCCCC(NC(=O)c1coc(C)c1)C(N)=S
InChIInChI=1S/C11H16N2O2S/c1-3-4-9(10(12)16)13-11(14)8-5-7(2)15-6-8/h5-6,9H,3-4H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyCXWOCRZQGOJOAM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.77
Rot. Bonds5

About N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide (PubChem CID 114820691) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
PubChem CID114820691
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
SMILESCCCC(NC(=O)c1coc(C)c1)C(N)=S
InChIInChI=1S/C11H16N2O2S/c1-3-4-9(10(12)16)13-11(14)8-5-7(2)15-6-8/h5-6,9H,3-4H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyCXWOCRZQGOJOAM-UHFFFAOYSA-N
XLogP1.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817
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N-(1-amino-1-sulfanylidenepentan-2-yl)-3,5-dimethoxybenzamide
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N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chlorofuran-3-carboxamide
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N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-methylbenzamide
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N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methylsulfonylbenzamide
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N-(1-amino-1-sulfanylidenepentan-2-yl)-2-chloro-4-methylbenzamide
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CID 114823351

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide (CID 114820691) is N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide is CCCC(NC(=O)c1coc(C)c1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide?
The InChIKey is CXWOCRZQGOJOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-4-9(10(12)16)13-11(14)8-5-7(2)15-6-8/h5-6,9H,3-4H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).