N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine

C13H24N2OS — CID 137017283

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCCOCC2CC2)N1
InChIInChI=1S/C13H24N2OS/c1-2-12-6-9-17-13(15-12)14-7-3-8-16-10-11-4-5-11/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyYIKBSYCZNGSHFQ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine

N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine (PubChem CID 137017283) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
PubChem CID137017283
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCCOCC2CC2)N1
InChIInChI=1S/C13H24N2OS/c1-2-12-6-9-17-13(15-12)14-7-3-8-16-10-11-4-5-11/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyYIKBSYCZNGSHFQ-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine (CID 137017283) is N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CCCOCC2CC2)N1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine?
The InChIKey is YIKBSYCZNGSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-12-6-9-17-13(15-12)14-7-3-8-16-10-11-4-5-11/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine?
N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137017283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).