3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide

C16H23N3O3S — CID 119863659

IUPAC3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1
InChIInChI=1S/C16H23N3O3S/c17-13-5-4-12(10-13)16(20)18-14-2-1-3-15(11-14)19-6-8-23(21,22)9-7-19/h1-3,11-13H,4-10,17H2,(H,18,20)
InChIKeyKUEPRJYJWWJMLO-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.99
Rot. Bonds3

About 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119863659) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID119863659
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1
InChIInChI=1S/C16H23N3O3S/c17-13-5-4-12(10-13)16(20)18-14-2-1-3-15(11-14)19-6-8-23(21,22)9-7-19/h1-3,11-13H,4-10,17H2,(H,18,20)
InChIKeyKUEPRJYJWWJMLO-UHFFFAOYSA-N
XLogP0.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119773958
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119863667
(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863690
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide (CID 119863659) is 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is KUEPRJYJWWJMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-13-5-4-12(10-13)16(20)18-14-2-1-3-15(11-14)19-6-8-23(21,22)9-7-19/h1-3,11-13H,4-10,17H2,(H,18,20).
What are the key properties of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119863659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).