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

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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).