N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine

C13H24N2S2 — CID 136848547

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCSC1(C/N=C2/NC(C(C)C)CCS2)CCC1
InChIInChI=1S/C13H24N2S2/c1-10(2)11-5-8-17-12(15-11)14-9-13(16-3)6-4-7-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWCYZWALVHSTQTL-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.38
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine

N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848547) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848547
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCSC1(C/N=C2/NC(C(C)C)CCS2)CCC1
InChIInChI=1S/C13H24N2S2/c1-10(2)11-5-8-17-12(15-11)14-9-13(16-3)6-4-7-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWCYZWALVHSTQTL-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848547) is N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is CSC1(C/N=C2/NC(C(C)C)CCS2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is WCYZWALVHSTQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-10(2)11-5-8-17-12(15-11)14-9-13(16-3)6-4-7-13/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 272.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).