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

C11H16N2O2S — CID 114820763

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

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

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide (PubChem CID 114820763) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
PubChem CID114820763
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C(N)=S)C(C)C)co1
InChIInChI=1S/C11H16N2O2S/c1-6(2)9(10(12)16)13-11(14)8-4-7(3)15-5-8/h4-6,9H,1-3H3,(H2,12,16)(H,13,14)
InChIKeyLKRDMOXOPNFVKJ-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'}

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Related Compounds

(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
5-methyl-N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 114820799
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
CID 114823351
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
(2S)-2-[(5-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360100
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide (CID 114820763) is N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(C(N)=S)C(C)C)co1.
What is the InChIKey of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide?
The InChIKey is LKRDMOXOPNFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6(2)9(10(12)16)13-11(14)8-4-7(3)15-5-8/h4-6,9H,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide?
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-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-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114820763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).