N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide

C13H26N2OS — CID 65449539

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H26N2OS/c1-3-4-5-6-7-8-9-13(16)15(2)11-10-12(14)17/h3-11H2,1-2H3,(H2,14,17)
InChIKeyCZGLVTGIOFHVSY-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.87
Rot. Bonds10

About N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide (PubChem CID 65449539) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
PubChem CID65449539
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H26N2OS/c1-3-4-5-6-7-8-9-13(16)15(2)11-10-12(14)17/h3-11H2,1-2H3,(H2,14,17)
InChIKeyCZGLVTGIOFHVSY-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
CID 88685642
CID 88685642
N,N-dimethyloctadecanamide;thiourea
CID 174811693
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide (CID 65449539) is N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide is CCCCCCCCC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide?
The InChIKey is CZGLVTGIOFHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-4-5-6-7-8-9-13(16)15(2)11-10-12(14)17/h3-11H2,1-2H3,(H2,14,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide has a molecular weight of 258.43 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide is sourced from PubChem (CID 65449539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).