N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C13H24N2S — CID 106362543

IUPACN-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(C)C(C)NC1=NC2CCCCC2CS1
InChIInChI=1S/C13H24N2S/c1-9(2)10(3)14-13-15-12-7-5-4-6-11(12)8-16-13/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyWVYIGMQMLRNCCS-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.28
Rot. Bonds2

About N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106362543) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106362543
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESCC(C)C(C)NC1=NC2CCCCC2CS1
InChIInChI=1S/C13H24N2S/c1-9(2)10(3)14-13-15-12-7-5-4-6-11(12)8-16-13/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyWVYIGMQMLRNCCS-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine with MolForge

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Related Compounds

4,4-dimethyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135439906
N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
2-Thiazoline, 2-((cyclohexylmethyl)amino)-
CID 3055296
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
Ethyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 90671457
N-(4,4,4-trifluorobutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114179099
N-(2,2,2-trifluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746892
N-(3,3,3-trifluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747122
N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747253
N-(4,4,4-trifluorobutyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747255

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106362543) is N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is CC(C)C(C)NC1=NC2CCCCC2CS1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is WVYIGMQMLRNCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)10(3)14-13-15-12-7-5-4-6-11(12)8-16-13/h9-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106362543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).