N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C15H21NO2S — CID 43522989

IUPACN-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NCC2CCCCC2)c2ccccc21
InChIInChI=1S/C15H21NO2S/c17-19(18)11-14(13-8-4-5-9-15(13)19)16-10-12-6-2-1-3-7-12/h4-5,8-9,12,14,16H,1-3,6-7,10-11H2
InChIKeyPUFAPOICGFYMGT-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.68
Rot. Bonds3

About N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43522989) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43522989
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESO=S1(=O)CC(NCC2CCCCC2)c2ccccc21
InChIInChI=1S/C15H21NO2S/c17-19(18)11-14(13-8-4-5-9-15(13)19)16-10-12-6-2-1-3-7-12/h4-5,8-9,12,14,16H,1-3,6-7,10-11H2
InChIKeyPUFAPOICGFYMGT-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexylmethyl)-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-(cyclopentylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522988
1,1-dioxo-N-(oxolan-3-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 62822751
N-cycloheptyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522978
N-cyclopentyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522825
N-[(1-methylcyclopentyl)methyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 63822577
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
N-octyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 115567312
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43522871
1,1-dioxo-N-pent-4-ynyl-2,3-dihydro-1-benzothiophen-3-amine
CID 114160013
N-(2-methyl-2-methylsulfonylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 79559259
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 62990229

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43522989) is N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is O=S1(=O)CC(NCC2CCCCC2)c2ccccc21.
What is the InChIKey of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is PUFAPOICGFYMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-19(18)11-14(13-8-4-5-9-15(13)19)16-10-12-6-2-1-3-7-12/h4-5,8-9,12,14,16H,1-3,6-7,10-11H2.
What are the key properties of N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43522989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).