N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide

C12H21N3O2S — CID 82104263

IUPACN-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide
SMILESCC(=O)NCCCN(CCC(N)=S)C(=O)C1CC1
InChIInChI=1S/C12H21N3O2S/c1-9(16)14-6-2-7-15(8-5-11(13)18)12(17)10-3-4-10/h10H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyFGFPUESHSGFHMN-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.43
Rot. Bonds8

About N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide

N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide (PubChem CID 82104263) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide
PubChem CID82104263
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide
SMILESCC(=O)NCCCN(CCC(N)=S)C(=O)C1CC1
InChIInChI=1S/C12H21N3O2S/c1-9(16)14-6-2-7-15(8-5-11(13)18)12(17)10-3-4-10/h10H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyFGFPUESHSGFHMN-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminopropyl)-N-methylcyclopropanecarboxamide
CID 28386817
N-(4-amino-4-sulfanylidenebutyl)butanamide
CID 62665841
N-methyl-N-[3-(methylamino)propyl]cyclopropanecarboxamide
CID 80396371
butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen
CID 144530461
3-(Cyclopropanecarbonylamino)propyl-dimethylazanium
CID 164030037
N-[3-(dimethylamino)propyl]cyclopropanecarboxamide
CID 4153371
3-(Cyclopropanecarbonylamino)propyl-diethylazanium
CID 4603285
N-[3-(diethylamino)propyl]cyclopropanecarboxamide
CID 4603286
N-[3-(methylamino)propyl]cyclopropanecarboxamide
CID 13544684
3-(Cyclopropanecarbonylamino)propyl-diethylazanium chloride
CID 20787005
N-(3-amino-3-sulfanylidenepropyl)-N,2-dimethylpropanamide
CID 28387598
N-(3-amino-3-sulfanylidenepropyl)-N-methylcyclopropanecarboxamide
CID 28387614

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide (CID 82104263) is N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide is CC(=O)NCCCN(CCC(N)=S)C(=O)C1CC1.
What is the InChIKey of N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide?
The InChIKey is FGFPUESHSGFHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(16)14-6-2-7-15(8-5-11(13)18)12(17)10-3-4-10/h10H,2-8H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide?
N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide has a molecular weight of 271.39 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide is sourced from PubChem (CID 82104263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).