N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide

C11H16N2O2S — CID 114820786

IUPACN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)C(N)=S)co1
InChIInChI=1S/C11H16N2O2S/c1-7-4-8(5-15-7)9(14)13-6-11(2,3)10(12)16/h4-5H,6H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyGMCBSAVCIBIHCL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.63
Rot. Bonds4

About N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide

N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide (PubChem CID 114820786) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
PubChem CID114820786
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)C(N)=S)co1
InChIInChI=1S/C11H16N2O2S/c1-7-4-8(5-15-7)9(14)13-6-11(2,3)10(12)16/h4-5H,6H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyGMCBSAVCIBIHCL-UHFFFAOYSA-N
XLogP1.63
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-3-bromo-5-chlorobenzamide
CID 107939068
N-(2-amino-2-methylpropyl)-5-bromofuran-3-carboxamide
CID 119627230
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
CID 114820763
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide (CID 114820786) is N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)C(N)=S)co1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide?
The InChIKey is GMCBSAVCIBIHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-4-8(5-15-7)9(14)13-6-11(2,3)10(12)16/h4-5H,6H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide?
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).