6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one

C13H17N3OS — CID 79461552

IUPAC6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
SMILESNC1CCC(Nc2ccc3c(c2)NC(=O)CS3)C1
InChIInChI=1S/C13H17N3OS/c14-8-1-2-9(5-8)15-10-3-4-12-11(6-10)16-13(17)7-18-12/h3-4,6,8-9,15H,1-2,5,7,14H2,(H,16,17)
InChIKeyZOOZRHUPEXKPCQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.02
Rot. Bonds2

About 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one

6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one (PubChem CID 79461552) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
PubChem CID79461552
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
SMILESNC1CCC(Nc2ccc3c(c2)NC(=O)CS3)C1
InChIInChI=1S/C13H17N3OS/c14-8-1-2-9(5-8)15-10-3-4-12-11(6-10)16-13(17)7-18-12/h3-4,6,8-9,15H,1-2,5,7,14H2,(H,16,17)
InChIKeyZOOZRHUPEXKPCQ-UHFFFAOYSA-N
XLogP2.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 106593973
6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 62703701
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
6-[(4-ethylcycloheptyl)amino]-4H-1,4-benzothiazin-3-one
CID 65084450
6-[2-(cyclopropylamino)ethylamino]-4H-1,4-benzothiazin-3-one
CID 115206766
6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
CID 43723132
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 82480367
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one (CID 79461552) is 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one is NC1CCC(Nc2ccc3c(c2)NC(=O)CS3)C1.
What is the InChIKey of 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is ZOOZRHUPEXKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-8-1-2-9(5-8)15-10-3-4-12-11(6-10)16-13(17)7-18-12/h3-4,6,8-9,15H,1-2,5,7,14H2,(H,16,17).
What are the key properties of 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one?
6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 263.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 79461552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).