N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide

C8H16N2O3S2 — CID 104519374

IUPACN-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
SMILESCCN(CC(N)=S)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S2/c1-4-10(5-7(9)14)8(11)6(2)15(3,12)13/h6H,4-5H2,1-3H3,(H2,9,14)
InChIKeyVNNXIUXRPMVPCA-UHFFFAOYSA-N
MW252.36 g/mol
LogP-0.45
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide (PubChem CID 104519374) has the molecular formula C8H16N2O3S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
PubChem CID104519374
Molecular FormulaC8H16N2O3S2
Molecular Weight252.36 g/mol
Exact Mass252.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
SMILESCCN(CC(N)=S)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S2/c1-4-10(5-7(9)14)8(11)6(2)15(3,12)13/h6H,4-5H2,1-3H3,(H2,9,14)
InChIKeyVNNXIUXRPMVPCA-UHFFFAOYSA-N
XLogP-0.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519364
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115772414
2-[2-methylpropyl(2-methylsulfonylpropanoyl)amino]acetic acid
CID 115730555
N,N-bis(2-chloroethyl)-2-methylsulfonylpropanamide
CID 104520204
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
CID 106724838
2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide
CID 81173878
N-(cyanomethyl)-2-methylsulfonyl-N-propylpropanamide
CID 112686400
2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117052
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methylsulfonylpropanamide
CID 104519401
N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide
CID 82985340

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide (CID 104519374) is N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide is CCN(CC(N)=S)C(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide?
The InChIKey is VNNXIUXRPMVPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S2/c1-4-10(5-7(9)14)8(11)6(2)15(3,12)13/h6H,4-5H2,1-3H3,(H2,9,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide?
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide has a molecular weight of 252.36 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104519374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).