N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

C12H18BrNOS — CID 103527317

IUPACN-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2ccc(Br)o2)C1
InChIInChI=1S/C12H18BrNOS/c1-16-11-4-2-3-9(7-11)14-8-10-5-6-12(13)15-10/h5-6,9,11,14H,2-4,7-8H2,1H3
InChIKeyPRBZUJFLYXHNCD-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.81
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 103527317) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID103527317
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2ccc(Br)o2)C1
InChIInChI=1S/C12H18BrNOS/c1-16-11-4-2-3-9(7-11)14-8-10-5-6-12(13)15-10/h5-6,9,11,14H,2-4,7-8H2,1H3
InChIKeyPRBZUJFLYXHNCD-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103908817
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(5-bromofuran-2-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103527272
methyl 2-[5-[[(3-methylsulfanylcyclohexyl)amino]methyl]thiophen-2-yl]acetate
CID 103923019
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 113268596
N-[(5-bromo-2-nitrophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103859113
2-[[(3-methylsulfanylcyclohexyl)amino]methyl]benzonitrile
CID 113338452

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine (CID 103527317) is N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine is CSC1CCCC(NCc2ccc(Br)o2)C1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is PRBZUJFLYXHNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-16-11-4-2-3-9(7-11)14-8-10-5-6-12(13)15-10/h5-6,9,11,14H,2-4,7-8H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 304.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103527317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).