imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane

C7H16N2OS — CID 90139503

IUPACimino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane
SMILES[H]N=S(C)(=O)CCN1CCCC1
InChIInChI=1S/C7H16N2OS/c1-11(8,10)7-6-9-4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyCNHIKYPZROQWRT-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.76
Rot. Bonds3

About imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane

imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane (PubChem CID 90139503) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane
PubChem CID90139503
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Nameimino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane
SMILES[H]N=S(C)(=O)CCN1CCCC1
InChIInChI=1S/C7H16N2OS/c1-11(8,10)7-6-9-4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyCNHIKYPZROQWRT-UHFFFAOYSA-N
XLogP0.76
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane?
The IUPAC name of imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane (CID 90139503) is imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane.
What is the SMILES notation for imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane?
The canonical SMILES for imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane is [H]N=S(C)(=O)CCN1CCCC1.
What is the InChIKey of imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane?
The InChIKey is CNHIKYPZROQWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11(8,10)7-6-9-4-2-3-5-9/h8H,2-7H2,1H3.
What are the key properties of imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane?
imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane has a molecular weight of 176.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-(2-pyrrolidin-1-ylethyl)-λ6-sulfane is sourced from PubChem (CID 90139503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).