3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide

C14H17N3O2S — CID 66008736

IUPAC3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1
InChIInChI=1S/C14H17N3O2S/c15-9-2-1-8(5-9)14(19)16-10-3-4-12-11(6-10)17-13(18)7-20-12/h3-4,6,8-9H,1-2,5,7,15H2,(H,16,19)(H,17,18)
InChIKeyAOPLDCWCPYNQKH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.80
Rot. Bonds2

About 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide

3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide (PubChem CID 66008736) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
PubChem CID66008736
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1
InChIInChI=1S/C14H17N3O2S/c15-9-2-1-8(5-9)14(19)16-10-3-4-12-11(6-10)17-13(18)7-20-12/h3-4,6,8-9H,1-2,5,7,15H2,(H,16,19)(H,17,18)
InChIKeyAOPLDCWCPYNQKH-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549167
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
CID 79461552
(3R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124785
(3S)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 81124708
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171
4-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63716289
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide (CID 66008736) is 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CS3)C1.
What is the InChIKey of 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide?
The InChIKey is AOPLDCWCPYNQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-9-2-1-8(5-9)14(19)16-10-3-4-12-11(6-10)17-13(18)7-20-12/h3-4,6,8-9H,1-2,5,7,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide?
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66008736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).