N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine

C14H20N2S — CID 135000976

IUPACN,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine
SMILESCC(C)N(C(C)C)C1N=Cc2ccccc2S1
InChIInChI=1S/C14H20N2S/c1-10(2)16(11(3)4)14-15-9-12-7-5-6-8-13(12)17-14/h5-11,14H,1-4H3
InChIKeySSETWYZXBKLXOH-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.61
Rot. Bonds3

About N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine

N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine (PubChem CID 135000976) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine
PubChem CID135000976
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine
SMILESCC(C)N(C(C)C)C1N=Cc2ccccc2S1
InChIInChI=1S/C14H20N2S/c1-10(2)16(11(3)4)14-15-9-12-7-5-6-8-13(12)17-14/h5-11,14H,1-4H3
InChIKeySSETWYZXBKLXOH-UHFFFAOYSA-N
XLogP3.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Benzothiazine
CID 18989167
2-pyrrolidin-1-yl-2H-1,3-benzothiazine
CID 135056585
N,N-diethyl-2H-1,3-benzothiazin-2-amine
CID 135056712
3-cyclohexyl-2H-1,3-benzothiazin-3-ium
CID 20783597
3-(cyclohexylmethyl)-2H-1,3-benzothiazin-3-ium
CID 20783617
3-(2-methylcyclohexyl)-2H-1,3-benzothiazin-3-ium
CID 20783854
3-Methyl-1,3-benzothiazin-3-ium-2-one
CID 20783899
3-methyl-2H-1,3-benzothiazin-3-ium
CID 20783900
3,8-dimethyl-2H-1,3-benzothiazin-3-ium
CID 21342500
3-cyclohexyl-8-methyl-2H-1,3-benzothiazin-3-ium
CID 21342525
8-methyl-3-propan-2-yl-2H-1,3-benzothiazin-3-ium
CID 21342530
3-tert-butyl-8-methyl-2H-1,3-benzothiazin-3-ium
CID 21342709

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine?
The IUPAC name of N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine (CID 135000976) is N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine?
The canonical SMILES for N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine is CC(C)N(C(C)C)C1N=Cc2ccccc2S1.
What is the InChIKey of N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine?
The InChIKey is SSETWYZXBKLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-10(2)16(11(3)4)14-15-9-12-7-5-6-8-13(12)17-14/h5-11,14H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine?
N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2H-1,3-benzothiazin-2-amine is sourced from PubChem (CID 135000976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).