N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide

C12H23N3O2S — CID 43290277

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide
SMILESCC1CN(CCC(=O)N(C)CCC(N)=S)CCO1
InChIInChI=1S/C12H23N3O2S/c1-10-9-15(7-8-17-10)6-4-12(16)14(2)5-3-11(13)18/h10H,3-9H2,1-2H3,(H2,13,18)
InChIKeyILPCDJMIGXRKGK-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.23
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide (PubChem CID 43290277) 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-(2-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide
PubChem CID43290277
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide
SMILESCC1CN(CCC(=O)N(C)CCC(N)=S)CCO1
InChIInChI=1S/C12H23N3O2S/c1-10-9-15(7-8-17-10)6-4-12(16)14(2)5-3-11(13)18/h10H,3-9H2,1-2H3,(H2,13,18)
InChIKeyILPCDJMIGXRKGK-UHFFFAOYSA-N
XLogP0.23
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(2-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide (CID 43290277) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide is CC1CN(CCC(=O)N(C)CCC(N)=S)CCO1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide?
The InChIKey is ILPCDJMIGXRKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10-9-15(7-8-17-10)6-4-12(16)14(2)5-3-11(13)18/h10H,3-9H2,1-2H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylmorpholin-4-yl)propanamide has a molecular weight of 273.40 g/mol, XLogP of 0.23, 6 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-(2-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43290277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).