N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C17H26N2S — CID 136848243

IUPACN-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(CC/N=C1/NC(C(C)C)CCS1)c1ccccc1
InChIInChI=1S/C17H26N2S/c1-13(2)16-10-12-20-17(19-16)18-11-9-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,18,19)
InChIKeyNQHGIWCTFZLHHT-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.29
Rot. Bonds5

About N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848243) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848243
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(CC/N=C1/NC(C(C)C)CCS1)c1ccccc1
InChIInChI=1S/C17H26N2S/c1-13(2)16-10-12-20-17(19-16)18-11-9-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,18,19)
InChIKeyNQHGIWCTFZLHHT-UHFFFAOYSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.29
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

N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993359
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136848013
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848243) is N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(CC/N=C1/NC(C(C)C)CCS1)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is NQHGIWCTFZLHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-13(2)16-10-12-20-17(19-16)18-11-9-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,18,19).
What are the key properties of N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 290.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).