N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide

C9H18N2O3S2 — CID 104519364

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide
SMILESCCN(CCC(N)=S)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H18N2O3S2/c1-4-11(6-5-8(10)15)9(12)7(2)16(3,13)14/h7H,4-6H2,1-3H3,(H2,10,15)
InChIKeyPTUVHPGDFHYZTG-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.06
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide (PubChem CID 104519364) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide
PubChem CID104519364
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide
SMILESCCN(CCC(N)=S)C(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H18N2O3S2/c1-4-11(6-5-8(10)15)9(12)7(2)16(3,13)14/h7H,4-6H2,1-3H3,(H2,10,15)
InChIKeyPTUVHPGDFHYZTG-UHFFFAOYSA-N
XLogP-0.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.06
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-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519374
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N-(3-amino-3-sulfanylidenepropyl)-2-ethyl-N-(3-methylbutyl)butanamide
CID 82104235
N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115772414
N,N-bis(2-chloroethyl)-2-methylsulfonylpropanamide
CID 104520204
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-(cyanomethyl)-2-methylsulfonyl-N-propylpropanamide
CID 112686400
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
CID 82104231
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 82104101
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602684
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide (CID 104519364) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide is CCN(CCC(N)=S)C(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide?
The InChIKey is PTUVHPGDFHYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c1-4-11(6-5-8(10)15)9(12)7(2)16(3,13)14/h7H,4-6H2,1-3H3,(H2,10,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide has a molecular weight of 266.39 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104519364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).