N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine

C11H20N2S — CID 136984868

IUPACN-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC(/N=C1/NC(C)(C)CCS1)C1CC1
InChIInChI=1S/C11H20N2S/c1-8(9-4-5-9)12-10-13-11(2,3)6-7-14-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyIIKXLTBNSFDQIZ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds2

About N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine

N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136984868) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136984868
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC(/N=C1/NC(C)(C)CCS1)C1CC1
InChIInChI=1S/C11H20N2S/c1-8(9-4-5-9)12-10-13-11(2,3)6-7-14-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyIIKXLTBNSFDQIZ-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451
4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
CID 136985048
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791
N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984950
N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136696708
methyl 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-4-methylpentanoate
CID 136984947
4,4-dimethyl-N-(1-propylpiperidin-4-yl)-1,3-thiazinan-2-imine
CID 136984936
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964
4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine
CID 137000128
4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
CID 136985064

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136984868) is N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine is CC(/N=C1/NC(C)(C)CCS1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is IIKXLTBNSFDQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(9-4-5-9)12-10-13-11(2,3)6-7-14-10/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).