N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

C13H17NO2S — CID 43539229

IUPACN-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1cc2c(cc1C)S(=O)(=O)CC2NC1CC1
InChIInChI=1S/C13H17NO2S/c1-8-5-11-12(14-10-3-4-10)7-17(15,16)13(11)6-9(8)2/h5-6,10,12,14H,3-4,7H2,1-2H3
InChIKeyKZBQSIXPNDPIOL-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.88
Rot. Bonds2

About N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine

N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539229) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539229
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1cc2c(cc1C)S(=O)(=O)CC2NC1CC1
InChIInChI=1S/C13H17NO2S/c1-8-5-11-12(14-10-3-4-10)7-17(15,16)13(11)6-9(8)2/h5-6,10,12,14H,3-4,7H2,1-2H3
InChIKeyKZBQSIXPNDPIOL-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine (CID 43539229) is N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is Cc1cc2c(cc1C)S(=O)(=O)CC2NC1CC1.
What is the InChIKey of N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is KZBQSIXPNDPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-8-5-11-12(14-10-3-4-10)7-17(15,16)13(11)6-9(8)2/h5-6,10,12,14H,3-4,7H2,1-2H3.
What are the key properties of N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine?
N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 251.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,6-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).