N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H16N2S2 — CID 80585794

IUPACN-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NCC2CCCS2)SC1
InChIInChI=1S/C9H16N2S2/c1-3-8(12-5-1)7-11-9-10-4-2-6-13-9/h8H,1-7H2,(H,10,11)
InChIKeyNWEXJABRKDTUEE-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.96
Rot. Bonds2

About N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 80585794) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID80585794
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC NameN-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NCC2CCCS2)SC1
InChIInChI=1S/C9H16N2S2/c1-3-8(12-5-1)7-11-9-10-4-2-6-13-9/h8H,1-7H2,(H,10,11)
InChIKeyNWEXJABRKDTUEE-UHFFFAOYSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 4236807
N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3707289
N-hexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 6493401
N-pentyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338716
N-pentyl-4,5-dihydro-1,3-thiazol-2-amine
CID 29068134
N-butyl-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 57267819
N,4-dimethyl-5-propyl-1,3-thiazolidin-2-imine
CID 143142425
N-heptyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338721
N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338722
N-cyclohexyl-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439542
5-methyl-N-pentyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439784
N-hexyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43477153

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 80585794) is N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is C1CN=C(NCC2CCCS2)SC1.
What is the InChIKey of N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NWEXJABRKDTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-3-8(12-5-1)7-11-9-10-4-2-6-13-9/h8H,1-7H2,(H,10,11).
What are the key properties of N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 80585794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).