[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine

C15H22BrNS — CID 66142568

IUPAC[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
SMILESCCC1(CC)CC(CN)(Sc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNS/c1-3-14(4-2)9-15(10-14,11-17)18-13-7-5-6-12(16)8-13/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyGZOSTDJQZRITHM-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.84
Rot. Bonds5

About [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine

[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine (PubChem CID 66142568) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
PubChem CID66142568
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
SMILESCCC1(CC)CC(CN)(Sc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNS/c1-3-14(4-2)9-15(10-14,11-17)18-13-7-5-6-12(16)8-13/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyGZOSTDJQZRITHM-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chlorophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
CID 66154475
[2-(3-methylphenyl)sulfanylspiro[3.4]octan-2-yl]methanamine
CID 66112356
[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
CID 66071413
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956
1-bromo-3-methylsulfanylbenzene
CID 2735627
1-(3-bromophenyl)sulfanyl-3,3-dimethoxycyclobutane-1-carbonitrile
CID 66143537
3,3-diethyl-1-(3-fluorophenyl)sulfanylcyclobutane-1-carbonitrile
CID 66070790
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
1-(3-bromophenyl)sulfanylcyclopropane-1-carboxylic acid
CID 66144703
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
1-bromo-3-[2-(bromomethyl)butylsulfanyl]benzene
CID 64999963
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine (CID 66142568) is [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine is CCC1(CC)CC(CN)(Sc2cccc(Br)c2)C1.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
The InChIKey is GZOSTDJQZRITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-3-14(4-2)9-15(10-14,11-17)18-13-7-5-6-12(16)8-13/h5-8H,3-4,9-11,17H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine?
[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine has a molecular weight of 328.32 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine is sourced from PubChem (CID 66142568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).