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

C17H27Cl2N3O3S — CID 119863690

IUPAC1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCCCC1
InChIInChI=1S/C17H25N3O3S.2ClH/c18-17(7-2-1-3-8-17)16(21)19-14-5-4-6-15(13-14)20-9-11-24(22,23)12-10-20;;/h4-6,13H,1-3,7-12,18H2,(H,19,21);2*1H
InChIKeyFCFVHQKZMOAVDS-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.37
Rot. Bonds3

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

1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119863690) has the molecular formula C17H27Cl2N3O3S and a molecular weight of 424.39 g/mol. Its IUPAC name is 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119863690
Molecular FormulaC17H27Cl2N3O3S
Molecular Weight424.39 g/mol
Exact Mass423.12
IUPAC Name1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCCCC1
InChIInChI=1S/C17H25N3O3S.2ClH/c18-17(7-2-1-3-8-17)16(21)19-14-5-4-6-15(13-14)20-9-11-24(22,23)12-10-20;;/h4-6,13H,1-3,7-12,18H2,(H,19,21);2*1H
InChIKeyFCFVHQKZMOAVDS-UHFFFAOYSA-N
XLogP2.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride 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

1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
1-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870422
1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119310902
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide
CID 119863659
1-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283258

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119863690) is 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is FCFVHQKZMOAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.2ClH/c18-17(7-2-1-3-8-17)16(21)19-14-5-4-6-15(13-14)20-9-11-24(22,23)12-10-20;;/h4-6,13H,1-3,7-12,18H2,(H,19,21);2*1H.
What are the key properties of 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 424.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119863690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).