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

C14H26N2S2 — CID 136848549

IUPACN-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCSC1(C/N=C2/NC(C(C)C)CCS2)CCCC1
InChIInChI=1S/C14H26N2S2/c1-11(2)12-6-9-18-13(16-12)15-10-14(17-3)7-4-5-8-14/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyIIBHMNCUXCSTQA-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.77
Rot. Bonds4

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

N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848549) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848549
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC NameN-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCSC1(C/N=C2/NC(C(C)C)CCS2)CCCC1
InChIInChI=1S/C14H26N2S2/c1-11(2)12-6-9-18-13(16-12)15-10-14(17-3)7-4-5-8-14/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyIIBHMNCUXCSTQA-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136762623
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-[(1-methylsulfanylcyclobutyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993578
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993382
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
CID 136762681

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848549) is N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is CSC1(C/N=C2/NC(C(C)C)CCS2)CCCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is IIBHMNCUXCSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-11(2)12-6-9-18-13(16-12)15-10-14(17-3)7-4-5-8-14/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 286.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).