N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide

C10H19N3O2S — CID 141318866

IUPACN-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide
SMILESCCCN1C(=O)CCC1CC(=O)NCSN
InChIInChI=1S/C10H19N3O2S/c1-2-5-13-8(3-4-10(13)15)6-9(14)12-7-16-11/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyIHJHMRIXMFYBDH-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.46
Rot. Bonds6

About N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide

N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide (PubChem CID 141318866) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide
PubChem CID141318866
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide
SMILESCCCN1C(=O)CCC1CC(=O)NCSN
InChIInChI=1S/C10H19N3O2S/c1-2-5-13-8(3-4-10(13)15)6-9(14)12-7-16-11/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyIHJHMRIXMFYBDH-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide (CID 141318866) is N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide is CCCN1C(=O)CCC1CC(=O)NCSN.
What is the InChIKey of N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide?
The InChIKey is IHJHMRIXMFYBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-2-5-13-8(3-4-10(13)15)6-9(14)12-7-16-11/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide?
N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide has a molecular weight of 245.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminosulfanylmethyl)-2-(5-oxo-1-propylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 141318866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).