N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide

C12H23N3O2S — CID 82737626

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
SMILESCN(CCC(N)=S)C(=O)CCN(C)C1CCOC1
InChIInChI=1S/C12H23N3O2S/c1-14(10-5-8-17-9-10)7-4-12(16)15(2)6-3-11(13)18/h10H,3-9H2,1-2H3,(H2,13,18)
InChIKeyZMFPUSFXYIZONA-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.23
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide (PubChem CID 82737626) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
PubChem CID82737626
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
SMILESCN(CCC(N)=S)C(=O)CCN(C)C1CCOC1
InChIInChI=1S/C12H23N3O2S/c1-14(10-5-8-17-9-10)7-4-12(16)15(2)6-3-11(13)18/h10H,3-9H2,1-2H3,(H2,13,18)
InChIKeyZMFPUSFXYIZONA-UHFFFAOYSA-N
XLogP0.23
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide (CID 82737626) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide is CN(CCC(N)=S)C(=O)CCN(C)C1CCOC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide?
The InChIKey is ZMFPUSFXYIZONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-14(10-5-8-17-9-10)7-4-12(16)15(2)6-3-11(13)18/h10H,3-9H2,1-2H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide has a molecular weight of 273.40 g/mol, XLogP of 0.23, 7 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-methyl-3-[methyl(oxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82737626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).