(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane

C7H16N2OS — CID 166834518

IUPAC(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CN(CC)C1
InChIInChI=1S/C7H16N2OS/c1-3-9-4-7(5-9)6-11(2,8)10/h7-8H,3-6H2,1-2H3
InChIKeyDVIGHOFFCWGRLD-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.61
Rot. Bonds3

About (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane

(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane (PubChem CID 166834518) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane
PubChem CID166834518
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CN(CC)C1
InChIInChI=1S/C7H16N2OS/c1-3-9-4-7(5-9)6-11(2,8)10/h7-8H,3-6H2,1-2H3
InChIKeyDVIGHOFFCWGRLD-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane (CID 166834518) is (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1CN(CC)C1.
What is the InChIKey of (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is DVIGHOFFCWGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-9-4-7(5-9)6-11(2,8)10/h7-8H,3-6H2,1-2H3.
What are the key properties of (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane?
(1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 176.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylazetidin-3-yl)methyl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166834518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).