N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine

C14H21NS — CID 82888516

IUPACN-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine
SMILESCCNC1c2cc(C)ccc2CSC1(C)C
InChIInChI=1S/C14H21NS/c1-5-15-13-12-8-10(2)6-7-11(12)9-16-14(13,3)4/h6-8,13,15H,5,9H2,1-4H3
InChIKeyBQDSXIBKZXHGIB-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.67
Rot. Bonds2

About N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine

N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine (PubChem CID 82888516) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine
PubChem CID82888516
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine
SMILESCCNC1c2cc(C)ccc2CSC1(C)C
InChIInChI=1S/C14H21NS/c1-5-15-13-12-8-10(2)6-7-11(12)9-16-14(13,3)4/h6-8,13,15H,5,9H2,1-4H3
InChIKeyBQDSXIBKZXHGIB-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-ethyl-5-fluoro-8-methoxy-3,3-dimethyl-1,4-dihydroisothiochromen-4-amine
CID 82886185
N-ethyl-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 169040576
3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418024
6-methyl-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103903344
8-chloro-3,3-dimethyl-N-propyl-1,4-dihydroisothiochromen-4-amine
CID 82885759
N-butyl-3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 156754055
N-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539077
8-bromo-3,3-dimethyl-N-propyl-1,4-dihydroisothiochromen-4-amine
CID 82887049
N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
CID 103787790
N,6-diethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887492
(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine
CID 84620108
3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 83970537

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine?
The IUPAC name of N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine (CID 82888516) is N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine.
What is the SMILES notation for N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine?
The canonical SMILES for N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine is CCNC1c2cc(C)ccc2CSC1(C)C.
What is the InChIKey of N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine?
The InChIKey is BQDSXIBKZXHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-5-15-13-12-8-10(2)6-7-11(12)9-16-14(13,3)4/h6-8,13,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine?
N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine has a molecular weight of 235.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,6-trimethyl-1,4-dihydroisothiochromen-4-amine is sourced from PubChem (CID 82888516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).