3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide

C9H12N2OS2 — CID 66354566

IUPAC3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccsc1)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-9(2,7(10)13)8(12)11-6-3-4-14-5-6/h3-5H,1-2H3,(H2,10,13)(H,11,12)
InChIKeyZGLQRIQZGOYJIG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide

3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide (PubChem CID 66354566) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
PubChem CID66354566
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccsc1)C(N)=S
InChIInChI=1S/C9H12N2OS2/c1-9(2,7(10)13)8(12)11-6-3-4-14-5-6/h3-5H,1-2H3,(H2,10,13)(H,11,12)
InChIKeyZGLQRIQZGOYJIG-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
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-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide
CID 62253500
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
3-amino-N-(3-iodo-4-methylphenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114257461
(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide
CID 103930136
3-amino-N-(4-bromo-3-fluorophenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 65435769
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115
2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
CID 66353300
2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
CID 113270556
2-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylacetamide
CID 112605491
3-(tert-butylamino)-N-thiophen-3-ylpropanamide
CID 66351972
3-amino-N-(2-bromo-5-chlorophenyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 81270751

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide?
The IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide (CID 66354566) is 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide is CC(C)(C(=O)Nc1ccsc1)C(N)=S.
What is the InChIKey of 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide?
The InChIKey is ZGLQRIQZGOYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-9(2,7(10)13)8(12)11-6-3-4-14-5-6/h3-5H,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide?
3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 66354566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).