N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H23NOS — CID 103777363

IUPACN-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCSC1CCCCC1NC1CCCc2occc21
InChIInChI=1S/C15H23NOS/c1-18-15-8-3-2-5-13(15)16-12-6-4-7-14-11(12)9-10-17-14/h9-10,12-13,15-16H,2-8H2,1H3
InChIKeyXVVZMJZQGKLVSH-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.92
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 103777363) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID103777363
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCSC1CCCCC1NC1CCCc2occc21
InChIInChI=1S/C15H23NOS/c1-18-15-8-3-2-5-13(15)16-12-6-4-7-14-11(12)9-10-17-14/h9-10,12-13,15-16H,2-8H2,1H3
InChIKeyXVVZMJZQGKLVSH-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
N-(2,4,4-trimethylcyclopentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106661736
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466591
N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
N-(2,4,4-trimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81321574
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
CID 113315107
N-(6-bicyclo[3.2.0]hept-3-enyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43771922
N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 83229241
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 103777363) is N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CSC1CCCCC1NC1CCCc2occc21.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is XVVZMJZQGKLVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-15-8-3-2-5-13(15)16-12-6-4-7-14-11(12)9-10-17-14/h9-10,12-13,15-16H,2-8H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 265.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 103777363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).