6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one

C17H24N2OS — CID 62703701

IUPAC6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
SMILESCC(C)C1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C17H24N2OS/c1-11(2)12-3-5-13(6-4-12)18-14-7-8-16-15(9-14)19-17(20)10-21-16/h7-9,11-13,18H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyVMMSZWOGRXZFMT-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.36
Rot. Bonds3

About 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one

6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one (PubChem CID 62703701) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
PubChem CID62703701
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
SMILESCC(C)C1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C17H24N2OS/c1-11(2)12-3-5-13(6-4-12)18-14-7-8-16-15(9-14)19-17(20)10-21-16/h7-9,11-13,18H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyVMMSZWOGRXZFMT-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one with MolForge

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Related Compounds

6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 106593973
6-[(4-ethylcycloheptyl)amino]-4H-1,4-benzothiazin-3-one
CID 65084450
6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
CID 79461552
6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
CID 43723132
6-[2-(cyclopropylamino)ethylamino]-4H-1,4-benzothiazin-3-one
CID 115206766
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-(1-methoxypropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 62535463
6-[1-(4-methylphenyl)ethylamino]-4H-1,4-benzothiazin-3-one
CID 43723176
6-(1-pyrrolidin-2-ylpropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 79541702
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one (CID 62703701) is 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one is CC(C)C1CCC(Nc2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is VMMSZWOGRXZFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)12-3-5-13(6-4-12)18-14-7-8-16-15(9-14)19-17(20)10-21-16/h7-9,11-13,18H,3-6,10H2,1-2H3,(H,19,20).
What are the key properties of 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 304.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 62703701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).