N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide

C15H28N2OS — CID 65447660

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
SMILESCCCCCCCCC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-6-7-8-15(18)17(13-9-10-13)12-11-14(16)19/h13H,2-12H2,1H3,(H2,16,19)
InChIKeyTZUBHCBSLARILN-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.40
Rot. Bonds11

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

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide (PubChem CID 65447660) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
PubChem CID65447660
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
SMILESCCCCCCCCC(=O)N(CCC(N)=S)C1CC1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-6-7-8-15(18)17(13-9-10-13)12-11-14(16)19/h13H,2-12H2,1H3,(H2,16,19)
InChIKeyTZUBHCBSLARILN-UHFFFAOYSA-N
XLogP3.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.40
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-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexylpentanamide
CID 82103900
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide (CID 65447660) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide is CCCCCCCCC(=O)N(CCC(N)=S)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide?
The InChIKey is TZUBHCBSLARILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-2-3-4-5-6-7-8-15(18)17(13-9-10-13)12-11-14(16)19/h13H,2-12H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide has a molecular weight of 284.47 g/mol, XLogP of 3.40, 11 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-cyclopropylnonanamide is sourced from PubChem (CID 65447660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).