N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C15H21NO2S — CID 43522978

IUPACN-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NC2CCCCCC2)c2ccccc21
InChIInChI=1S/C15H21NO2S/c17-19(18)11-14(13-9-5-6-10-15(13)19)16-12-7-3-1-2-4-8-12/h5-6,9-10,12,14,16H,1-4,7-8,11H2
InChIKeyCEYQUJCMDSEJCZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.83
Rot. Bonds2

About N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522978) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522978
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NC2CCCCCC2)c2ccccc21
InChIInChI=1S/C15H21NO2S/c17-19(18)11-14(13-9-5-6-10-15(13)19)16-12-7-3-1-2-4-8-12/h5-6,9-10,12,14,16H,1-4,7-8,11H2
InChIKeyCEYQUJCMDSEJCZ-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine 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

N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522825
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]cyclohexan-1-ol
CID 43522834
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
CID 43522991
4-[[(3R)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]amino]cyclohexane-1-carboxamide
CID 93466698
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)oxolan-3-amine
CID 80713583
N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522989
N-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522988
N-[(3aS,6aR)-5-methoxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 128884981
N-(1,1-dioxothiolan-3-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43757070
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43522859
N-[(1S)-1-cyclohexylethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 81390967
N-(2,6-dichlorophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 65467625

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522978) is N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is O=S1(=O)CC(NC2CCCCCC2)c2ccccc21.
What is the InChIKey of N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is CEYQUJCMDSEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-19(18)11-14(13-9-5-6-10-15(13)19)16-12-7-3-1-2-4-8-12/h5-6,9-10,12,14,16H,1-4,7-8,11H2.
What are the key properties of N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).