6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine

C10H12N2S — CID 116646192

IUPAC6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine
SMILESCN(C)c1ccc2c(N)csc2c1
InChIInChI=1S/C10H12N2S/c1-12(2)7-3-4-8-9(11)6-13-10(8)5-7/h3-6H,11H2,1-2H3
InChIKeyOONOTYGOBOMKEL-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.55
Rot. Bonds1

About 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine

6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine (PubChem CID 116646192) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine
PubChem CID116646192
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine
SMILESCN(C)c1ccc2c(N)csc2c1
InChIInChI=1S/C10H12N2S/c1-12(2)7-3-4-8-9(11)6-13-10(8)5-7/h3-6H,11H2,1-2H3
InChIKeyOONOTYGOBOMKEL-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-N,7-N-dimethylquinoline-4,7-diamine
CID 14579985
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-iodo-5-methyl-1-benzothiophen-3-amine
CID 130788969
3-[(dimethylamino)methyl]-1-benzothiophen-6-amine
CID 117178026
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283
[6-(dimethylamino)-9-oxothioxanthen-3-yl]-trimethylazanium
CID 156673942
2-[4-[2-amino-5-(dimethylamino)phenyl]piperazin-1-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 54100198
4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
CID 154137227
5-(bromomethyl)-6-methyl-1-benzothiophen-3-amine
CID 130883990
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
N,N-dimethyl-1,3-benzothiazol-5-amine
CID 22609017

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine (CID 116646192) is 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine is CN(C)c1ccc2c(N)csc2c1.
What is the InChIKey of 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine?
The InChIKey is OONOTYGOBOMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-12(2)7-3-4-8-9(11)6-13-10(8)5-7/h3-6H,11H2,1-2H3.
What are the key properties of 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine?
6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine has a molecular weight of 192.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-1-benzothiophene-3,6-diamine is sourced from PubChem (CID 116646192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).