3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide

C12H22N2OS2 — CID 114123292

IUPAC3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCCSC1CCC(NC(=O)C(C)(C)C(N)=S)C1
InChIInChI=1S/C12H22N2OS2/c1-4-17-9-6-5-8(7-9)14-11(15)12(2,3)10(13)16/h8-9H,4-7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyIKKBSPSLTSOQFI-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.09
Rot. Bonds5

About 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide

3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide (PubChem CID 114123292) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide
PubChem CID114123292
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC Name3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCCSC1CCC(NC(=O)C(C)(C)C(N)=S)C1
InChIInChI=1S/C12H22N2OS2/c1-4-17-9-6-5-8(7-9)14-11(15)12(2,3)10(13)16/h8-9H,4-7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyIKKBSPSLTSOQFI-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.09
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-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
2-[(3-ethylsulfanylcyclopentyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 114124290
3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 64731743
N-(3-ethylsulfanylcyclopentyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 103885058
2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103713466
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 103715144
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
2-[(3-ethylsulfanylcyclopentyl)amino]butanamide
CID 103711403
4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
CID 114123155
2-[1-(aminomethyl)cyclobutyl]-N-(3-ethylsulfanylcyclopentyl)acetamide
CID 114123170
4-[(3-ethylsulfanylcyclopentyl)amino]piperidine-1-carboxamide
CID 103787245

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide (CID 114123292) is 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide is CCSC1CCC(NC(=O)C(C)(C)C(N)=S)C1.
What is the InChIKey of 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The InChIKey is IKKBSPSLTSOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-4-17-9-6-5-8(7-9)14-11(15)12(2,3)10(13)16/h8-9H,4-7H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide has a molecular weight of 274.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylsulfanylcyclopentyl)-2,2-dimethyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 114123292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).