N,N,5-trimethyl-1-benzothiophen-2-amine

C11H13NS — CID 166120724

IUPACN,N,5-trimethyl-1-benzothiophen-2-amine
SMILESCc1ccc2sc(N(C)C)cc2c1
InChIInChI=1S/C11H13NS/c1-8-4-5-10-9(6-8)7-11(13-10)12(2)3/h4-7H,1-3H3
InChIKeyFFUGKHGLOGMMGW-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.28
Rot. Bonds1

About N,N,5-trimethyl-1-benzothiophen-2-amine

N,N,5-trimethyl-1-benzothiophen-2-amine (PubChem CID 166120724) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is N,N,5-trimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-1-benzothiophen-2-amine
PubChem CID166120724
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC NameN,N,5-trimethyl-1-benzothiophen-2-amine
SMILESCc1ccc2sc(N(C)C)cc2c1
InChIInChI=1S/C11H13NS/c1-8-4-5-10-9(6-8)7-11(13-10)12(2)3/h4-7H,1-3H3
InChIKeyFFUGKHGLOGMMGW-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,N-dimethyl-1-benzothiophen-2-amine
CID 83919992
N,5-dimethyl-1-benzothiophen-2-amine
CID 142226168
N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 166448666
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332
4-(5-methyl-1-benzothiophen-2-yl)morpholine
CID 12539106
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
5-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 10775569
S-methyl 5-methyl-1-benzothiophene-2-carbothioate
CID 118424955
N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide
CID 59030871
9,9,18,18-tetrafluoro-6,15-bis(5-methyl-1-benzothiophen-2-yl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 58224250
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1-benzothiophen-2-amine?
The IUPAC name of N,N,5-trimethyl-1-benzothiophen-2-amine (CID 166120724) is N,N,5-trimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for N,N,5-trimethyl-1-benzothiophen-2-amine?
The canonical SMILES for N,N,5-trimethyl-1-benzothiophen-2-amine is Cc1ccc2sc(N(C)C)cc2c1.
What is the InChIKey of N,N,5-trimethyl-1-benzothiophen-2-amine?
The InChIKey is FFUGKHGLOGMMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8-4-5-10-9(6-8)7-11(13-10)12(2)3/h4-7H,1-3H3.
What are the key properties of N,N,5-trimethyl-1-benzothiophen-2-amine?
N,N,5-trimethyl-1-benzothiophen-2-amine has a molecular weight of 191.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 166120724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).