6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one

C11H15N3OS — CID 103388562

IUPAC6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
SMILESCC(CN)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H15N3OS/c1-7(5-12)13-8-2-3-10-9(4-8)14-11(15)6-16-10/h2-4,7,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyRVLPVGSKJWSIMV-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.49
Rot. Bonds3

About 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one

6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one (PubChem CID 103388562) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
PubChem CID103388562
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
SMILESCC(CN)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H15N3OS/c1-7(5-12)13-8-2-3-10-9(4-8)14-11(15)6-16-10/h2-4,7,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyRVLPVGSKJWSIMV-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-ethoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 115917300
6-(1-methoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 62535463
6-(1-pyrrolidin-2-ylpropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 79541702
6-[(4-amino-2-methylbutyl)amino]-4H-1,4-benzothiazin-3-one
CID 115202348
6-[1-(4-methylphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723176
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-[1-(4-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723169
6-[1-(2-hydroxyphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723190
6-(4-aminopentylamino)-4H-1,4-benzothiazin-3-one
CID 115203617
3-amino-2-methoxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 106111669
6-(4-aminobutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 82496859
6-[1-(2-chlorophenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43226997

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one (CID 103388562) is 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one is CC(CN)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
The InChIKey is RVLPVGSKJWSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(5-12)13-8-2-3-10-9(4-8)14-11(15)6-16-10/h2-4,7,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one?
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one has a molecular weight of 237.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 103388562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).