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

C16H23N3OS — CID 43723132

IUPAC6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
SMILESCCCN1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C16H23N3OS/c1-2-7-19-8-5-12(6-9-19)17-13-3-4-15-14(10-13)18-16(20)11-21-15/h3-4,10,12,17H,2,5-9,11H2,1H3,(H,18,20)
InChIKeyXNILYQKLXHPGKN-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.02
Rot. Bonds4

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

6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one (PubChem CID 43723132) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
PubChem CID43723132
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
SMILESCCCN1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C16H23N3OS/c1-2-7-19-8-5-12(6-9-19)17-13-3-4-15-14(10-13)18-16(20)11-21-15/h3-4,10,12,17H,2,5-9,11H2,1H3,(H,18,20)
InChIKeyXNILYQKLXHPGKN-UHFFFAOYSA-N
XLogP3.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 62703701
6-[(4-ethylcycloheptyl)amino]-4H-1,4-benzothiazin-3-one
CID 65084450
6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 106593973
6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
CID 79461552
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-[2-(cyclopropylamino)ethylamino]-4H-1,4-benzothiazin-3-one
CID 115206766
6-(hexylamino)-4H-1,4-benzothiazin-3-one
CID 43229078
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899
6-[(1-methylpyrrol-2-yl)methylamino]-4H-1,4-benzothiazin-3-one
CID 55024880

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one (CID 43723132) is 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one is CCCN1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is XNILYQKLXHPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-7-19-8-5-12(6-9-19)17-13-3-4-15-14(10-13)18-16(20)11-21-15/h3-4,10,12,17H,2,5-9,11H2,1H3,(H,18,20).
What are the key properties of 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one?
6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 305.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 43723132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).