N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H23NOS — CID 113262606

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCOC1CC(NC2CCCc3sccc32)C1(C)C
InChIInChI=1S/C15H23NOS/c1-15(2)13(9-14(15)17-3)16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,13-14,16H,4-6,9H2,1-3H3
InChIKeyVCDSVWLEZXKAJA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.53
Rot. Bonds3

About N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 113262606) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID113262606
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCOC1CC(NC2CCCc3sccc32)C1(C)C
InChIInChI=1S/C15H23NOS/c1-15(2)13(9-14(15)17-3)16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,13-14,16H,4-6,9H2,1-3H3
InChIKeyVCDSVWLEZXKAJA-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093786
N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 64863853
N-(4,4-dimethylthian-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 79948113
N-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dioxan-5-amine
CID 113429660
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783841
N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115892167
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
N-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841050
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62841752
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclobutane-1-carboxylic acid
CID 103249503
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 113262606) is N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is COC1CC(NC2CCCc3sccc32)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is VCDSVWLEZXKAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2)13(9-14(15)17-3)16-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,13-14,16H,4-6,9H2,1-3H3.
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 265.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 113262606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).