2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide

C12H25N3OS — CID 54991974

IUPAC2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)CC(C)C(N)=S
InChIInChI=1S/C12H25N3OS/c1-6-15(7-2)12(16)10(4)14(5)8-9(3)11(13)17/h9-10H,6-8H2,1-5H3,(H2,13,17)
InChIKeyNDLLCFCXQLNBCY-UHFFFAOYSA-N
MW259.42 g/mol
LogP1.10
Rot. Bonds7

About 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide

2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide (PubChem CID 54991974) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide
PubChem CID54991974
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)CC(C)C(N)=S
InChIInChI=1S/C12H25N3OS/c1-6-15(7-2)12(16)10(4)14(5)8-9(3)11(13)17/h9-10H,6-8H2,1-5H3,(H2,13,17)
InChIKeyNDLLCFCXQLNBCY-UHFFFAOYSA-N
XLogP1.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62333186
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-propylpentanamide
CID 82984934
N,N-diethyl-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 62020446
2-[3-aminopropyl(methyl)amino]-N,N-diethylpropanamide
CID 43116469
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate
CID 62011281
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
CID 54987860
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65098968
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-tert-butylpropanamide
CID 54987970

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide (CID 54991974) is 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C)CC(C)C(N)=S.
What is the InChIKey of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide?
The InChIKey is NDLLCFCXQLNBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-6-15(7-2)12(16)10(4)14(5)8-9(3)11(13)17/h9-10H,6-8H2,1-5H3,(H2,13,17).
What are the key properties of 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide?
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide has a molecular weight of 259.42 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 54991974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).