N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide

C6H12N2OS — CID 61127271

IUPACN-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC(N)=S
InChIInChI=1S/C6H12N2OS/c1-4(2)6(9)8-3-5(7)10/h4H,3H2,1-2H3,(H2,7,10)(H,8,9)
InChIKeyJSQLPXPVKAMLHV-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.04
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide

N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide (PubChem CID 61127271) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
PubChem CID61127271
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC(N)=S
InChIInChI=1S/C6H12N2OS/c1-4(2)6(9)8-3-5(7)10/h4H,3H2,1-2H3,(H2,7,10)(H,8,9)
InChIKeyJSQLPXPVKAMLHV-UHFFFAOYSA-N
XLogP0.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide (CID 61127271) is N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide is CC(C)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide?
The InChIKey is JSQLPXPVKAMLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-4(2)6(9)8-3-5(7)10/h4H,3H2,1-2H3,(H2,7,10)(H,8,9).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide?
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide has a molecular weight of 160.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide is sourced from PubChem (CID 61127271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).