1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine

C14H21NO2S — CID 43539410

IUPAC1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(C)NC1CS(=O)(=O)c2ccc(C(C)C)cc21
InChIInChI=1S/C14H21NO2S/c1-9(2)11-5-6-14-12(7-11)13(15-10(3)4)8-18(14,16)17/h5-7,9-10,13,15H,8H2,1-4H3
InChIKeyDHMHIVBEXVQDQM-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.64
Rot. Bonds3

About 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine

1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539410) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539410
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(C)NC1CS(=O)(=O)c2ccc(C(C)C)cc21
InChIInChI=1S/C14H21NO2S/c1-9(2)11-5-6-14-12(7-11)13(15-10(3)4)8-18(14,16)17/h5-7,9-10,13,15H,8H2,1-4H3
InChIKeyDHMHIVBEXVQDQM-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-N,5-di(propan-2-yl)-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

6-chloro-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538948
1-(1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84640852
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
2,8-di(propan-2-yl)dibenzothiophene 5,5-dioxide
CID 121289541
1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1λ6-benzothiepin-5-one
CID 43155220
2-(1,1-dioxo-7-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84643266
5-propan-2-yl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
CID 20649811
N-hexan-3-yl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 55033645
6-tert-butyl-2-methyl-1,1-dioxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539522
N-methyl-1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117201786
1-(5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methyl-3-propan-2-ylurea
CID 75507445
1-(5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 117201778

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine (CID 43539410) is 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine is CC(C)NC1CS(=O)(=O)c2ccc(C(C)C)cc21.
What is the InChIKey of 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is DHMHIVBEXVQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9(2)11-5-6-14-12(7-11)13(15-10(3)4)8-18(14,16)17/h5-7,9-10,13,15H,8H2,1-4H3.
What are the key properties of 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 267.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).